SCHEMBL1644930

SCHEMBL1644930

COC(=O)c1cc(N2CCOCC2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
ALDH1A1 P00352 4/20 0.57
PKM P14618 1/20 0.57
KDM4E B2RXH2 3/20 0.56
POLB P06746 2/20 0.56
HIF1A Q16665 2/20 0.56
HTT P42858 1/20 0.55
HCRTR1 O43613 1/20 0.54
PRKDC P78527 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PTK2 Q05397 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
THRB P10828 1/20 0.49

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
SCHEMBL30263167 0.89 HIF1A (0.62) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL12316369 0.89 HIF1A (0.62) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL1644942 0.87 HIF1A (0.57) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL26604551 0.87 PRKDC (0.58) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL4766240 0.86 HIF1A (0.59) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL5058325 0.84 PRKDC (0.59) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL12121402 0.84 MAPT (0.55) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL5059632 0.84 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1PKM
SCHEMBL23662583 0.83 MAPT (0.53) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL19579582 0.83 ACVR1 (0.51) KMT2AMEN1KDM4E

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 MAPT 1056/4885KMT2A 1491/4885MEN1 1818/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 MAPT 1056/4885KMT2A 1491/4885MEN1 1818/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 MAPT 1807/4885KMT2A 1433/4885MEN1 3054/4885

“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.