SCHEMBL2297554

SCHEMBL2297554

c1ccc(Nc2nc[nH]n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GAA P10253 2/20 0.47
GFER P55789 1/20 0.47
CDK2 P24941 3/20 0.45
MAPT P10636 4/20 0.44
MAPK1 P28482 3/20 0.44
AURKA O14965 2/20 0.44
PDPK1 O15530 2/20 0.44
CDK1 P06493 2/20 0.44
LYN P07948 2/20 0.44
FGFR1 P11362 2/20 0.44
FGFR3 P22607 2/20 0.44
RPS6KB1 P23443 2/20 0.44
MARK3 P27448 2/20 0.44
BLK P51451 2/20 0.44
RPS6KA3 P51812 2/20 0.44
ERBB4 Q15303 2/20 0.44
MARK2 Q7KZI7 2/20 0.44
PLK3 Q9H4B4 2/20 0.44
NPC1 O15118 2/20 0.44

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
Hydrochloric Acid SCHEMBL1923749 0.83 KCNH3 (0.59) KCNH3
SCHEMBL18856712 0.78 KDR (0.49) CDK2AURKACDK1KDRAURKB
SCHEMBL18856786 0.78 ALDH1A1 (0.50) MAPTMAPK1NPC1RAB9AHSD17B10
SCHEMBL4672987 0.78 NFKB1 (0.53) LMNAGFERCDK2MAPTMAPK1
SCHEMBL28164686 0.77 MAPT (0.55) LMNAGAAMAPTMAPK1AURKA
SCHEMBL18856847 0.76 ADRA2A (0.44) CDK2MAPTCDK1NPC1RAB9A
SCHEMBL8443603 0.76 SYK (0.48) AURKACDK1IKBKBMEN1KMT2A
SCHEMBL18754966 0.75 SYK (0.45) MAPK1MEN1KMT2ATSHRSYK
SCHEMBL18856454 0.75 EGFR (0.42) KCNH3JAK2NTRK1SYK
SCHEMBL18856705 0.75 GRM4 (0.50) LMNAMAPTMAPK1AURKAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4722199-A1 AZOLE COMPOUND, METHOD FOR SYNTHESIZING SAID AZOLE COMPOUND, AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2026-04-08 EP disclosed
WO-2024247919-A1 AZOLE COMPOUND, METHOD FOR SYNTHESIZING SAID AZOLE COMPOUND, AND USE THEREOF 四国化成工業株式会社 2024-12-05 WO disclosed
CN-116675677-B C8 urushiol derivative and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-09-26 CN disclosed
CN-116406231-A Molecules having certain pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2023-07-07 CN disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
US-20130310433-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2013-11-21 US disclosed
US-20130310433-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2013-11-21 US disclosed
US-8481578-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
US-8481578-B2 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-09 US disclosed
EP-2019826-B1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2012-08-29 EP disclosed
US-20080070965-A1 Thiophene-carboxamides useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-03-20 US disclosed
WO-2007139795-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-06 WO disclosed
WO-2007139795-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-06 WO disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
EP-1663211-A1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-06-07 EP disclosed
US-20050261268-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-11-24 US disclosed
WO-2005013982-A1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 WO disclosed
US-4182630-A COLOR PHOTOGRAPHY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1980-01-08 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 (4 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-20130310433-A1 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K5, PACSIN2 LMNA 3756/4885GAA 1186/4885GFER 3408/4885
US-20080070965-A1 Thiophene-carboxamides useful as inhibitors of protein kinases MAP3K20, MAP3K5, PACSIN2 LMNA 3756/4885GAA 1186/4885GFER 3408/4885
US-20160002180-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS LMNA 3602/4885GAA 58/4885GFER 3650/4885
US-20050261268-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 LMNA 3410/4885GAA 2168/4885GFER 2984/4885

“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.