SCHEMBL4065893

SCHEMBL4065893

COc1cccc(Nc2ncnc3cccc(CN4CC[C@@H](N)[C@@H](O)C4)c23)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.69
SRC P12931 4/20 0.69
TNK2 Q07912 2/20 0.69
DYRK1A Q13627 2/20 0.69
RET P07949 2/20 0.69
CIT O14578 1/20 0.69
CHEK1 O14757 1/20 0.69
GAK O14976 1/20 0.69
STK10 O94804 1/20 0.69
PRKD3 O94806 1/20 0.69
ABL1 P00519 1/20 0.69
LCK P06239 1/20 0.69
FYN P06241 1/20 0.69
YES1 P07947 1/20 0.69
LYN P07948 1/20 0.69
HCK P08631 1/20 0.69
PHKG2 P15735 1/20 0.69
PRKCA P17252 1/20 0.69
PRKACA P17612 1/20 0.69
CSNK2A2 P19784 1/20 0.69

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
SCHEMBL4061476 1.00 EGFR (0.69) EGFRSRCTNK2DYRK1ARET
SCHEMBL4071514 1.00 EGFR (0.69) EGFRSRCTNK2DYRK1ARET
SCHEMBL4071523 0.90 EGFR (0.56) EGFRSRCTNK2DYRK1ARET
SCHEMBL4064546 0.89 EGFR (0.54) EGFRSRCTNK2DYRK1ARET
SCHEMBL4068048 0.88 EGFR (0.52) EGFRSRCTNK2DYRK1ARET
SCHEMBL4061778 0.87 EGFR (0.54) EGFRSRCTNK2DYRK1ARET
SCHEMBL4066483 0.87 EGFR (0.52) EGFRSRCTNK2DYRK1ARET
SCHEMBL4064966 0.87 EGFR (0.53) EGFRSRCTNK2DYRK1ARET
SCHEMBL4065659 0.85 EGFR (0.52) EGFRSRCTNK2DYRK1ARET
SCHEMBL4066587 0.85 EGFR (0.52) EGFRSRCTNK2DYRK1ARET

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 3 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-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 3/4885SRC 57/4885TNK2 179/4885

“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.