SCHEMBL1645579

SCHEMBL1645579

COc1ccc(Cn2cc([N+](=O)[O-])c(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
FGFR1 P11362 3/20 0.44
FGFR2 P21802 3/20 0.44
FGFR3 P22607 3/20 0.44
KDR P35968 3/20 0.44
PDE2A O00408 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
KCNJ1 P48048 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
ACP1 P24666 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL1644934 0.86 SMN1; SMN2 (0.49) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL30681797 0.84 HDAC3 (0.39) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL26964505 0.84 HDAC3 (0.39) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL545872 0.80 SMN1; SMN2 (0.44) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL30061324 0.80 SMN1; SMN2 (0.44) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL1644919 0.76 ALDH1A1 (0.47) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL1646619 0.75 AURKA (0.41) SMN1; SMN2ALDH1A1LMNATSHRHIF1A
SCHEMBL3586746 0.73 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTLMNAKCNJ1
SCHEMBL28507596 0.71 FGFR1 (0.51) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL30059177 0.71 FGFR1 (0.51) SMN1; SMN2FGFR1FGFR2FGFR3KDR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305250-B1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-03-26 EP disclosed
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 US disclosed
EP-1648426-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2014-01-08 EP disclosed
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-09-15 US disclosed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 US 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
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 (3 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-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 SMN1; SMN2 3663/4885FGFR1 1039/4885FGFR2 1690/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 SMN1; SMN2 3663/4885FGFR1 1039/4885FGFR2 1690/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 SMN1; SMN2 4105/4885FGFR1 1202/4885FGFR2 1700/4885

“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.