SCHEMBL1104825

SCHEMBL1104825

Cc1cnc(-c2ccccc2)nn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MAPK1 P28482 2/20 0.54
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.45
HPGDS O60760 4/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL26569790 0.76 NPC1 (0.56) NPC1RAB9AMAPK1NFKB1NFKB2
SCHEMBL17055412 0.75 NPC1 (0.53) NPC1RAB9AMAPK1NFKB1NFKB2
SCHEMBL436106 0.75 NPC1 (0.65) NPC1RAB9AMAPK1NFKB1NFKB2
SCHEMBL3652642 0.72 NPC1 (1.00) NPC1RAB9AMAPK1NFKB1NFKB2
SCHEMBL17055434 0.72 NPC1 (0.55) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL11978673 0.72 NPC1 (0.74) NPC1RAB9AMAPK1NFKB1NFKB2
SCHEMBL17055377 0.71 NPC1 (0.67) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL17055440 0.71 NPC1 (0.74) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL10091200 0.71 NPC1 (0.67) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL14864992 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 US disclosed
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 US disclosed
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 US disclosed
WO-2022227015-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO disclosed
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2021-07-20 US disclosed
US-10833281-B2 Organic electroluminescence composition, material for organic electroluminescence element, solution of material for organic electroluminescence element, and organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2020-11-10 US disclosed
US-10707434-B2 Organic electroluminescence element, and material for organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2020-07-07 US disclosed
US-10622569-B2 Compound, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-04-14 US disclosed
US-20080100207-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-05-01 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
US-20080079356-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-04-03 US disclosed
US-20080079356-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-04-03 US disclosed
US-20080076942-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-03-27 US disclosed
US-20080076942-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-03-27 US disclosed
US-20070273270-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070273270-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070275266-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070275266-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 US 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 (9 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-20080076942-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, MAOA, DDC NPC1 4722/4885RAB9A 2826/4885MAPK1 2203/4885
US-10833281-B2 Organic electroluminescence composition, material for organic electroluminescence element, solution of material for organic electroluminescence element, and organic electroluminescence element SLCO4C1, SLCO2A1, SLCO1A2 NPC1 648/4885RAB9A 2190/4885MAPK1 1896/4885
US-11069862-B2 Material for organic electroluminescence device and organic electroluminescence device using the same EPCAM, ILK, PPOX NPC1 3774/4885RAB9A 2255/4885MAPK1 915/4885
US-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes KCNQ2, KCNQ1, KCNQ4 NPC1 2663/4885RAB9A 2910/4885MAPK1 3128/4885
US-20080100207-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same PPOX, EML4, DDT NPC1 2476/4885RAB9A 1313/4885MAPK1 3547/4885
US-10622569-B2 Compound, organic electroluminescent element, and electronic device EFNA1, L1CAM, LEF1 NPC1 1796/4885RAB9A 502/4885MAPK1 294/4885
US-10707434-B2 Organic electroluminescence element, and material for organic electroluminescence element LEF1, L1CAM, AGO2 NPC1 2824/4885RAB9A 1106/4885MAPK1 305/4885
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 NPC1 2807/4885RAB9A 3769/4885MAPK1 749/4885
US-20080079356-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same PPOX, EML4, ALPL NPC1 2358/4885RAB9A 1006/4885MAPK1 3397/4885

“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.