SCHEMBL1645490

SCHEMBL1645490

O=C(Nc1c[nH]nc1-c1nc2c(CO)cccc2[nH]1)c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
PARP1 P09874 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.38
DHODH Q02127 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
PTGES O14684 1/20 0.36
AURKB Q96GD4 2/20 0.36
AURKA O14965 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
HTT P42858 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
NOD2 Q9HC29 1/20 0.35

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
SCHEMBL13446023 0.92 MAPT (0.40) MAPTPARP1MEN1KMT2ACNR2
SCHEMBL1647625 0.89 MAPT (0.39) MAPTPARP1MEN1KMT2ACNR2
SCHEMBL12582563 0.89 PTGES (0.39) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL13544948 0.89 MAPT (0.38) MAPTPARP1MEN1KMT2ACNR2
SCHEMBL13446038 0.89 DHODH (0.41) MAPTDHODHPTGES
SCHEMBL1645095 0.89 MAPT (0.38) MAPTMEN1KMT2ACNR2POLB
SCHEMBL1646621 0.89 DHODH (0.40) MAPTMEN1KMT2APOLBDHODH
SCHEMBL1647619 0.88 MAPT (0.38) MAPTPARP1MEN1KMT2ACNR2
SCHEMBL8299814 0.87 MGAM (0.48) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL1645790 0.87 MAOB (0.42) MAPTMEN1KMT2APOLBALDH1A1

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 25 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-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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 1056/4885PARP1 1165/4885MEN1 1818/4885
US-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET MAPT 2227/4885PARP1 4774/4885MEN1 3865/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 MAPT 1056/4885PARP1 1165/4885MEN1 1818/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 MAPT 1807/4885PARP1 681/4885MEN1 3054/4885
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS SLC10A1, CYP11B2, SDHB MAPT 1865/4885PARP1 2017/4885MEN1 41/4885

“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.