SCHEMBL436106

SCHEMBL436106

Cc1cnc(-c2ccccc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HPGDS O60760 11/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
HDAC4 P56524 2/20 0.49
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17055377 0.95 NPC1 (0.67) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL10091200 0.95 NPC1 (0.67) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL15599291 0.87 NPC1 (0.48) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL12628225 0.87 L3MBTL1 (0.59) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL16602145 0.85 NPC1 (0.54) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL21105334 0.83 HPGDS (0.53) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL17055369 0.83 CLK4 (0.54) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL13910154 0.82 NPC1 (0.75) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL11933090 0.82 NPC1 (0.75) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL30123307 0.82 NPC1 (0.45) NPC1RAB9ANFKB1NFKB2RELA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 304 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240244946-A1 ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANOMETALLIC COMPOUND AND PLURALITY OF HOST MATERIALS LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244946-A1 ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANOMETALLIC COMPOUND AND PLURALITY OF HOST MATERIALS LG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240109842-A1 ACRYLAMIDE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-04-04 US disclosed
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 WO disclosed
US-11917843-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2024-02-27 US disclosed
US-11818932-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-14 US disclosed
US-20230363260-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-09 US disclosed
US-11807654-B2 Organometallic compound, organic light-emitting device including organometallic compound, and diagnostic composition including organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-11-07 US disclosed
US-20230337522-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
US-20230337522-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 US disclosed
US-7695777-B2 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSON CORPORATION (JP) 2010-04-13 US disclosed
US-7510749-B2 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION (JP) 2009-03-31 US disclosed
US-20080075891-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSO CORPORATION 2008-03-27 US disclosed
US-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION 2008-03-13 US disclosed
US-5977075-A N-aroylamino acid amides as endothelin inhibitors NOVARTIS AG (CH) 1999-11-02 US disclosed
EP-0821670-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS Novartis AG (CH) 1998-02-04 EP disclosed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 NPC1 1631/4885RAB9A 972/4885NFKB1 3975/4885
US-20240244946-A1 ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANOMETALLIC COMPOUND AND PLURALITY OF HOST MATERIALS GPX1, PER2, SOD1 NPC1 3426/4885RAB9A 2846/4885NFKB1 1709/4885
US-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time POU2F2, HCN2, POU2F1 NPC1 981/4885RAB9A 2373/4885NFKB1 2249/4885
US-20230337522-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, EML4, LBR NPC1 1803/4885RAB9A 1415/4885NFKB1 1282/4885
US-11917843-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, AOC2 NPC1 2329/4885RAB9A 1804/4885NFKB1 2010/4885
US-20080075891-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CNKSR1, CLCN2, LEF1 NPC1 3055/4885RAB9A 948/4885NFKB1 2377/4885
US-11807654-B2 Organometallic compound, organic light-emitting device including organometallic compound, and diagnostic composition including organometallic compound L1CAM, FOXM1, MEN1 NPC1 2803/4885RAB9A 3177/4885NFKB1 1438/4885
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 NPC1 3594/4885RAB9A 2204/4885NFKB1 3532/4885
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 NPC1 1614/4885RAB9A 710/4885NFKB1 3524/4885
US-20240109842-A1 ACRYLAMIDE COMPOUNDS HPGDS, MYADM, ACR NPC1 4406/4885RAB9A 3162/4885NFKB1 2441/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.