SCHEMBL8302335

SCHEMBL8302335

O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccco1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.63
TP53 P04637 9/20 0.63
RAB9A P51151 9/20 0.63
KDM4E B2RXH2 8/20 0.63
NPC1 O15118 8/20 0.63
HSD17B10 Q99714 7/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
TDP1 Q9NUW8 6/20 0.63
HPGD P15428 5/20 0.63
POLB P06746 9/20 0.60
ALDH1A1 P00352 9/20 0.55
RECQL P46063 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 3/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 1/20 0.55
MAPK10 P53779 1/20 0.55
PTK2B Q14289 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
NPSR1 Q6W5P4 2/20 0.51

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
SCHEMBL13374041 0.85 MAPT (0.52) MAPTTP53RAB9AKDM4ENPC1
SCHEMBL1646052 0.83 CDK1 (0.61) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL8299886 0.83 CDK1 (0.47) MAPTTP53RAB9AKDM4ENPC1
SCHEMBL14922194 0.83 MAPT (0.48) MAPTTP53RAB9AKDM4ENPC1
SCHEMBL8304897 0.82 FPR1 (0.47) MAPTTP53RAB9AKDM4ENPC1
SCHEMBL8299868 0.82 MAPK1 (0.51) MAPTTP53RAB9AKDM4ENPC1
SCHEMBL12252655 0.81 ALOX15 (0.48) MAPTTP53RAB9AKDM4ENPC1
SCHEMBL1646700 0.80 AURKA (0.59) TP53RAB9AKDM4ENPC1HSD17B10
SCHEMBL12773405 0.80 NPC1 (0.59) MAPTTP53RAB9AKDM4ENPC1
SCHEMBL1645956 0.80 ALDH1A1 (0.59) MAPTTP53RAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
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
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-8435970-B2 Title compound is drug AT-9283, inhibitor of Cyclin Dependent Kinases (CDK kinases), Aurora kinases and Glycogen Synthase Kinase-3 (GSK3) ASTEX THERAPEUTICS LIMITED (GB) 2013-05-07 US disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 US disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 US disclosed
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-09-15 US disclosed
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-30 US disclosed
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-30 US disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP disclosed
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA ASTEX THERAPEUTICS LIMITED (GB) 2010-03-04 US disclosed
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA ASTEX THERAPEUTICS LIMITED (GB) 2010-03-04 US disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 US disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 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
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 (6 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 MAPT 1056/4885TP53 408/4885RAB9A 3925/4885
US-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET MAPT 2227/4885TP53 275/4885RAB9A 1208/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 MAPT 1056/4885TP53 408/4885RAB9A 3925/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 MAPT 1807/4885TP53 500/4885RAB9A 4363/4885
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA LDHA, LDHB, PDK4 MAPT 215/4885TP53 83/4885RAB9A 4804/4885
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS SLC10A1, CYP11B2, SDHB MAPT 1865/4885TP53 254/4885RAB9A 3175/4885

“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.