SCHEMBL1644934

SCHEMBL1644934

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
FGFR1 P11362 3/20 0.47
FGFR2 P21802 3/20 0.47
FGFR3 P22607 3/20 0.47
KDR P35968 3/20 0.47
PDE2A O00408 1/20 0.42
ACP1 P24666 2/20 0.41
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
CHEK2 O96017 1/20 0.39
KCNH2 Q12809 2/20 0.39
POLB P06746 1/20 0.39
JAK2 O60674 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD2 P14416 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
SCHEMBL1645579 0.86 SMN1; SMN2 (0.45) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL26964500 0.83 HDAC3 (0.39) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL1644919 0.78 ALDH1A1 (0.47) SMN1; SMN2FGFR1FGFR2FGFR3KDR
SCHEMBL546253 0.77 FGFR1 (0.45) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL1646619 0.77 AURKA (0.41) SMN1; SMN2ACP1TSHRHIF1AEPAS1
SCHEMBL4902772 0.73 PDPK1 (0.43) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL12027286 0.71 FGFR1 (0.45) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL16070539 0.71 FGFR1 (0.87) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL547038 0.70 FGFR1 (0.46) FGFR1FGFR2FGFR3KDRJAK2
SCHEMBL3579583 0.70 SMN1; SMN2 (0.46) SMN1; SMN2TSHRHIF1AEPAS1

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 7 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

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.