SCHEMBL1645358

SCHEMBL1645358

O=C(O)c1cccc(CN2CCCC2)c1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MRGPRX4 Q96LA9 3/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DHODH Q02127 2/20 0.44
FABP3 P05413 1/20 0.44
POLB P06746 1/20 0.44
FABP4 P15090 1/20 0.43
HPGD P15428 1/20 0.43
CHRNA7 P36544 1/20 0.42

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
SCHEMBL7433040 0.83 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ACYP2D6CYP2C9
SCHEMBL11361974 0.82 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ACYP2D6CYP2C9
SCHEMBL3377345 0.77 MPO (0.56) ALDH1A1HIF1AKDM4ELMNAL3MBTL1
SCHEMBL6803849 0.76 ALDH1A1 (0.70) ALDH1A1KMT2ACYP2D6KDM4EHTT
SCHEMBL31227713 0.75 MRGPRX4 (0.42) ALDH1A1MRGPRX4KDM4EFABP3
SCHEMBL30341108 0.75 ALDH1A1 (0.73) ALDH1A1KMT2ACYP2D6KDM4EHTT
SCHEMBL1401459 0.74 MRGPRX4 (0.49) ALDH1A1MRGPRX4KDM4ELMNAL3MBTL1
SCHEMBL17294845 0.74 MRGPRX4 (0.49) ALDH1A1MRGPRX4KDM4E
SCHEMBL4238088 0.74 KAT6A (0.54) ALDH1A1MRGPRX4KDM4EHPGD
SCHEMBL247774 0.73 ALDH1A1 (0.56) ALDH1A1CYP2D6KDM4EPOLBCHRNA7

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 11 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
CN-1845734-B Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD 2011-06-22 CN 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
CN-1845734-A Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2006-10-11 CN 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 ALDH1A1 2449/4885MRGPRX4 4054/4885MEN1 1818/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 ALDH1A1 2449/4885MRGPRX4 4054/4885MEN1 1818/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 ALDH1A1 1157/4885MRGPRX4 4522/4885MEN1 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.