SCHEMBL4066587

SCHEMBL4066587

C#Cc1cccc(Nc2ncnc3cccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.52
ERBB2 P04626 2/20 0.52
GAK O14976 3/20 0.50
DYRK1A Q13627 2/20 0.50
STK10 O94804 2/20 0.50
SLK Q9H2G2 2/20 0.50
CIT O14578 1/20 0.50
CHEK1 O14757 1/20 0.50
PRKD3 O94806 1/20 0.50
ABL1 P00519 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
YES1 P07947 1/20 0.50
LYN P07948 1/20 0.50
RET P07949 1/20 0.50
HCK P08631 1/20 0.50
SRC P12931 1/20 0.50
PHKG2 P15735 1/20 0.50
PRKCA P17252 1/20 0.50
PRKACA P17612 1/20 0.50

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
SCHEMBL4065659 1.00 EGFR (0.52) EGFRERBB2GAKDYRK1ASTK10
SCHEMBL4071239 1.00 EGFR (0.52) EGFRERBB2GAKDYRK1ASTK10
SCHEMBL4061426 0.90 EGFR (0.51) EGFRERBB2GAKDYRK1ASTK10
SCHEMBL14231626 0.88 EGFR (0.51) EGFRERBB2GAKFBP1ALDH1A1
SCHEMBL13966101 0.88 EGFR (0.66) EGFRERBB2GAKSTK10SLK
SCHEMBL4064546 0.87 EGFR (0.54) EGFRERBB2GAKDYRK1ASTK10
SCHEMBL4066483 0.87 EGFR (0.52) EGFRERBB2GAKDYRK1ASTK10
SCHEMBL4071450 0.86 EGFR (0.48) EGFRERBB2GAKDYRK1ASTK10
SCHEMBL4071452 0.86 EGFR (0.48) EGFRERBB2GAKDYRK1ASTK10
SCHEMBL4061476 0.85 EGFR (0.69) EGFRERBB2GAKDYRK1ASTK10

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 6 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 claimed
US-7358256-B2 ATP competitive kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-15 US claimed
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 claimed
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 3/4885ERBB2 1/4885GAK 155/4885

“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.