SCHEMBL2382993

SCHEMBL2382993

COC(=O)c1nc(-c2nn(C3CCCCO3)cc2NC(=O)c2c(F)cccc2F)[nH]c1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.36
BRAF P15056 1/20 0.33
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
MLLT1 Q03111 1/20 0.31
ATRIP Q8WXE1 2/20 0.31
ABL1 P00519 1/20 0.31
BCL3 P20749 1/20 0.30
JAK2 O60674 1/20 0.30
NTRK1 P04629 1/20 0.30
TTK P33981 1/20 0.30
BRD4 O60885 1/20 0.30
FGFR1 P11362 1/20 0.30
DDR2 Q16832 1/20 0.30

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
SCHEMBL1645164 0.94 ATR (0.38) ATRBRAFCDK1CCNB1CCNA2
SCHEMBL12446243 0.88 BRAF (0.34) BRAFCDK1CCNB1CCNA2CDK2
SCHEMBL12772317 0.88 BRAF (0.33) BRAFCDK1CCNB1CCNA2CDK2
SCHEMBL8299912 0.84 CDK2 (0.34) BRAFCDK1CCNB1CCNA2CDK2
SCHEMBL12773433 0.83 CCNA2 (0.33) BRAFCDK1CCNB1CCNA2CDK2
SCHEMBL12446246 0.82 CDK2 (0.34) BRAFCDK1CCNB1CCNA2CDK2
SCHEMBL5578320 0.77 ABL1 (0.37) BRAFCDK1CCNB1CCNA2CDK2
SCHEMBL8273357 0.77 CCNA2 (0.39) CDK1CCNB1CCNA2CDK2ABL1
SCHEMBL5578360 0.76 BRAF (0.34) BRAF
SCHEMBL5578221 0.75 BRAF (0.33) BRAFCDK1CCNB1CCNA2CDK2

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 4 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
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-09-15 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US 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 ATR 568/4885BRAF 352/4885CDK1 1/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 ATR 568/4885BRAF 352/4885CDK1 1/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 ATR 687/4885BRAF 255/4885CDK1 1/4885

“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.