SCHEMBL1645381

SCHEMBL1645381

O=[N+]([O-])c1c[nH]nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.56
MMP9 P14780 2/20 0.56
MMP8 P22894 2/20 0.56
MMP13 P45452 1/20 0.52
NPC1 O15118 8/20 0.50
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
TP53 P04637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ABCB11 O95342 1/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
BTK Q06187 1/20 0.47
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 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
SCHEMBL5952684 0.81 NPBWR1 (0.44) MMP2MMP9MMP8MMP13NPC1
SCHEMBL28498979 0.81 ATM (0.39) MMP2MMP9MMP8MMP13NPC1
SCHEMBL5952211 0.79 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL28497076 0.78 NPBWR1 (0.47) MMP2MMP9MMP8MMP13NPC1
SCHEMBL5951462 0.78 KIF11 (0.43) ALDH1A1NPSR1KDM4EGAALMNA
SCHEMBL13375032 0.78 CBFB (0.40) MMP2MMP9MMP8MMP13NPC1
SCHEMBL5952807 0.78 NPC1 (0.46) MMP2MMP9MMP8MMP13NPC1
SCHEMBL5952633 0.78 GUSB (0.48) MMP2MMP9MMP8MMP13NPC1
SCHEMBL31679095 0.78 GUSB (0.68) MMP2MMP9MMP8MMP13NPC1
SCHEMBL2872555 0.78 GUSB (0.68) MMP2MMP9MMP8MMP13NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4293019-A1 4-SUBSTITUTED (1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLES AS BUB1 INHIBITORS USEFUL FOR TREATING CANCERS Netherlands Translational Research Center Holding B.V. (NL) 2023-12-20 EP disclosed
CN-112047932-B Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2022-11-08 CN disclosed
CN-112047932-A Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2020-12-08 CN disclosed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US disclosed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US disclosed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
WO-2014064134-A1 3,4-DISUBSTITUTED 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-05-01 WO disclosed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 US disclosed
CN-1845734-B Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD 2011-06-22 CN disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
CN-1845734-A Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2006-10-11 CN disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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 (2 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-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK SYK, BTK, IRAK4 MMP2 4731/4885MMP9 4822/4885MMP8 4566/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 MMP2 2663/4885MMP9 3325/4885MMP8 4284/4885

“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.