SCHEMBL4064966

SCHEMBL4064966

COc1cc(Nc2ncnc3cccc(CN4CC[C@@H](N)[C@H](O)C4)c23)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.53
CIT O14578 1/20 0.53
CHEK1 O14757 1/20 0.53
GAK O14976 1/20 0.53
STK10 O94804 1/20 0.53
PRKD3 O94806 1/20 0.53
ABL1 P00519 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
YES1 P07947 1/20 0.53
LYN P07948 1/20 0.53
RET P07949 1/20 0.53
HCK P08631 1/20 0.53
SRC P12931 1/20 0.53
PHKG2 P15735 1/20 0.53
PRKCA P17252 1/20 0.53
PRKACA P17612 1/20 0.53
CSNK2A2 P19784 1/20 0.53
PRKACB P22694 1/20 0.53
MARK3 P27448 1/20 0.53

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
SCHEMBL13965747 0.88 EGFR (0.50) EGFRLCKERBB2ERBB4
SCHEMBL4066817 0.88 EGFR (0.52) EGFRCITCHEK1GAKSTK10
SCHEMBL4068899 0.88 EGFR (0.52) EGFRCITCHEK1GAKSTK10
SCHEMBL4071514 0.87 EGFR (0.69) EGFRCITCHEK1GAKSTK10
SCHEMBL4061476 0.87 EGFR (0.69) EGFRCITCHEK1GAKSTK10
SCHEMBL4065893 0.87 EGFR (0.69) EGFRCITCHEK1GAKSTK10
SCHEMBL4066483 0.84 EGFR (0.52) EGFRCITCHEK1GAKSTK10
SCHEMBL4064546 0.84 EGFR (0.54) EGFRCITCHEK1GAKSTK10
SCHEMBL5266181 0.81 ERBB2 (0.61) EGFRGAKERBB2ERBB4
SCHEMBL4069343 0.81 ERBB2 (0.61) EGFRGAKERBB2ERBB4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863792-B1 ATP COMPETITIVE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-01-21 EP disclosed
US-7358256-B2 ATP competitive kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-15 US disclosed
US-7358256-B2 ATP competitive kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-15 US disclosed
US-7358256-B2 ATP competitive kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-15 US disclosed
EP-1863792-A1 ATP COMPETITIVE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2007-12-12 EP disclosed
WO-2006104971-A1 ATP COMPETITIVE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-05 WO disclosed
US-20060217369-A1 Antiproliferative agents; tyrosine kinase inhibitors; anticancer; diseases associated with signal transduction pathways operating through growth factor receptors; 4-amino-1-((4-(3-methoxyphenylamino) quinazolin-5-yl)methyl)-N-methylpiperidine-3-carboxamide BRISTOL-MYERS SQUIBB COMPANY 2006-09-28 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 (1 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-20060217369-A1 Antiproliferative agents; tyrosine kinase inhibitors; anticancer; diseases associated with signal transduction pathways operating through growth factor receptors; 4-amino-1-((4-(3-methoxyphenylamino) quinazolin-5-yl)methyl)-N-methylpiperidine-3-carboxamide ERBB2, ERBB4, EGFR EGFR 3/4885CIT 531/4885CHEK1 272/4885

“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.