SCHEMBL3396580

SCHEMBL3396580

c1ccc2c(c1)ncn2-c1cc[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
HTT P42858 2/20 0.53
ROCK1 Q13464 1/20 0.50
FGFR1 P11362 4/20 0.47
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
LCK P06239 1/20 0.46
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
HSF1 Q00613 1/20 0.43

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
SCHEMBL30822716 0.78 RAB9A (0.52) POLBRAB9A
SCHEMBL31241183 0.76 POLB (0.67) POLBHTTROCK1FGFR1MAPT
SCHEMBL3148726 0.75 POLB (0.56) POLBHTTROCK1FGFR1MAPT
SCHEMBL2147667 0.74 POLB (0.70) POLBHTTROCK1FGFR1LCK
SCHEMBL31722849 0.74 POLB (0.70) POLBHTTROCK1FGFR1LCK
SCHEMBL29744972 0.73 POLB (1.00) POLBHTTROCK1FGFR1MAPT
SCHEMBL1346814 0.73 POLB (1.00) POLBHTTROCK1FGFR1MAPT
SCHEMBL9338772 0.71 POLB (0.96) POLBHTTROCK1FGFR1MAPT
SCHEMBL20741465 0.71 TLR7 (0.49) POLBROCK1
SCHEMBL3417306 0.71 HTT (0.73) POLBHTTROCK1FGFR1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
EP-2041119-B1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA SA (FR) 2017-05-10 EP disclosed
EP-2970210-B1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES Celon Pharma Sa (PL) 2017-01-04 EP disclosed
US-20160039794-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2016-02-11 US disclosed
EP-2970210-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2016-01-20 EP disclosed
US-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 US disclosed
US-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 US disclosed
WO-2014141015-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2014-09-18 WO disclosed
EP-2041119-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2009-04-01 EP disclosed
US-7507486-B2 Organic phosphorescent light emitting device EASTMAN KODAK COMPANY (US) 2009-03-24 US disclosed
EP-1966213-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2008099075-A1 2-ANILINO-4-HETEROARYL PYRIMIDINE DERIVATIVES, AND PREPARATION THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS, AND IN PARTICULAR IKK INHIBITORS SANOFI-AVENTIS (FR) 2008-08-21 WO disclosed
EP-1920479-A1 ORGANIC PHOSPHORESCENT LIGHT EMITTING DEVICE EASTMAN KODAK COMPANY (US) 2008-05-14 EP disclosed
WO-2008022747-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-28 WO disclosed
WO-2008003857-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-01-10 WO disclosed
WO-2007068465-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
WO-2007027440-A1 ORGANIC PHOSPHORESCENT LIGHT EMITTING DEVICE EASTMAN KODAK COMPANY (US) 2007-03-08 WO disclosed
US-20070048546-A1 Organic phosphorescent light emitting device EASTMAN KODAK COMPANY 2007-03-01 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 (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-20160039794-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES NR0B2, NR2C2, NR4A3 POLB 1314/4885HTT 4737/4885ROCK1 3491/4885

“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.