SCHEMBL1644728

SCHEMBL1644728

CN1CCN(C(=O)c2cccc3[nH]c(-c4n[nH]cc4NC(=O)c4c(F)cccc4F)nc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.41
PARP1 P09874 7/20 0.40
ALDH1A1 P00352 1/20 0.40
PARP2 Q9UGN5 1/20 0.38
ATR Q13535 2/20 0.38
PRKD3 O94806 1/20 0.38
PIM1 P11309 1/20 0.38
SRC P12931 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
DYRK1A Q13627 1/20 0.38
PIM3 Q86V86 1/20 0.38
AURKB Q96GD4 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
STK17A Q9UEE5 1/20 0.38
DHODH Q02127 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
SCHEMBL1646047 0.85 PKN1 (0.51) PARP1KDRDHODH
SCHEMBL1645958 0.84 DHODH (0.54) PARP1DHODH
SCHEMBL8299774 0.84 PARP1 (0.43) PARP1PRKD3PIM1SRCFLT4
SCHEMBL1646675 0.83 BRD4 (0.42) HRH4ALDH1A1ATRKDR
SCHEMBL8299814 0.81 MGAM (0.48) ALDH1A1
SCHEMBL1645917 0.80 GRIN2B (0.54) PARP1DYRK1A
SCHEMBL1645790 0.80 MAOB (0.42) ALDH1A1
SCHEMBL8302368 0.79 MAPT (0.39) HRH4ALDH1A1
SCHEMBL1645490 0.79 MAPT (0.41) PARP1ALDH1A1PRKD3PIM1SRC
SCHEMBL8300860 0.79 MAPT (0.41) HRH4PARP1ALDH1A1AURKBDHODH

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 29 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
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-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
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
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 (4 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-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET HRH4 688/4885PARP1 4774/4885ALDH1A1 3042/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 HRH4 4442/4885PARP1 1165/4885ALDH1A1 2449/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 HRH4 4649/4885PARP1 681/4885ALDH1A1 1157/4885
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 HRH4 1403/4885PARP1 1802/4885ALDH1A1 536/4885

“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.