SCHEMBL2469253

SCHEMBL2469253

c1ccc2c(c1)ncn2-c1ccnnn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
ROCK1 Q13464 1/20 0.56
HTT P42858 1/20 0.51
MKNK1 Q9BUB5 7/20 0.48
LCK P06239 3/20 0.48
MKNK2 Q9HBH9 5/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
FGFR1 P11362 1/20 0.46
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
HSF1 Q00613 1/20 0.45

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
SCHEMBL31241183 0.82 POLB (0.67) POLBROCK1HTTMKNK1LCK
SCHEMBL29744972 0.75 POLB (1.00) POLBROCK1HTTMKNK1LCK
SCHEMBL1346814 0.75 POLB (1.00) POLBROCK1HTTMKNK1LCK
SCHEMBL15551598 0.75 POLB (0.67) POLBROCK1HTTMKNK1LCK
SCHEMBL9338772 0.74 POLB (0.96) POLBROCK1HTTMKNK1LCK
SCHEMBL31722849 0.73 POLB (0.70) POLBROCK1HTTMKNK1LCK
SCHEMBL2147667 0.73 POLB (0.70) POLBROCK1HTTMKNK1LCK
SCHEMBL2187372 0.72 ROCK1 (0.59) POLBROCK1HTTMKNK1LCK
SCHEMBL21554382 0.72 ROCK1 (0.68) POLBROCK1HTTMKNK1LCK
SCHEMBL12821560 0.72 ROCK1 (1.00) POLBROCK1HTTMKNK1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP claimed
US-20040023966-A1 Agricultural/ horticultural fungicides containing said derivatives as the active ingredients. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-02-05 US claimed
US-6576631-B1 Broad disease control spectrum; residual effectiveness, rainfastness; nondamaging to crops KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-06-10 US claimed
EP-1132387-A1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-09-12 EP claimed
EP-2336122-B1 1-PYRIMIDINYL- OR 1-PYRIDINYL-2-AMINO BENZIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF PROTEIN KINASES FOR THE TREATMENT OF CANCER VERTEX PHARMA (US) 2014-05-14 EP disclosed
EP-1899329-B1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-05 EP disclosed
EP-1937667-B1 BENZIMIDAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-10-13 EP disclosed
WO-2010012745-A2 BENZIMIDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 WO disclosed
CN-1243002-C Pyrimidyl benzimidazole and triazinyl benzimidazole derivatives and agricultural/horticultural fungicides KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-02-22 CN disclosed
CN-1243002-C Pyrimidyl benzimidazole and triazinyl benzimidazole derivatives and agricultural/horticultural fungicides KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-02-22 CN disclosed
EP-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP disclosed
EP-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP disclosed
EP-1132387-A4 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2002-06-05 EP disclosed
CN-1333768-A Pyrimidinylbenzimidazole and triazinylbenzimidazole derivatives and agricultural/horticultural bactericides KUMIAI CHEMICAL INDUSTRY CO (JP) 2002-01-30 CN disclosed
CN-1333768-A Pyrimidinylbenzimidazole and triazinylbenzimidazole derivatives and agricultural/horticultural bactericides KUMIAI CHEMICAL INDUSTRY CO (JP) 2002-01-30 CN disclosed
JP-2001322903-A GERMICIDAL COMPOSITION FOR AGRICULTURE AND HORTICULTURE KUMIAI CHEM IND CO LTD 2001-11-20 JP disclosed
EP-1132387-A1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-09-12 EP disclosed
EP-1132387-A1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-09-12 EP disclosed
WO-2000029404-A8 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-09-08 WO disclosed
WO-2000029404-A1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-05-25 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 (1 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-20040023966-A1 Agricultural/ horticultural fungicides containing said derivatives as the active ingredients. CBR3, TH, CASP3 POLB 3808/4885ROCK1 2426/4885HTT 1293/4885

“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.