SCHEMBL4069343

SCHEMBL4069343

N[C@@H]1CCN(Cc2cccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)C[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.61
EGFR P00533 16/20 0.60
ERBB3 P21860 1/20 0.51
ERBB4 Q15303 1/20 0.51
GAK O14976 1/20 0.51

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
SCHEMBL5266181 1.00 ERBB2 (0.61) ERBB2EGFRERBB3ERBB4GAK
SCHEMBL4070061 0.90 EGFR (0.72) ERBB2EGFRERBB3ERBB4GAK
SCHEMBL14208296 0.88 EGFR (0.56) ERBB2EGFRERBB3ERBB4GAK
SCHEMBL4066817 0.86 EGFR (0.52) ERBB2EGFRERBB4GAK
SCHEMBL4068899 0.86 EGFR (0.52) ERBB2EGFRERBB4GAK
SCHEMBL4064958 0.82 ERBB2 (0.62) ERBB2EGFR
SCHEMBL4066483 0.81 EGFR (0.52) ERBB2EGFRGAK
SCHEMBL4064966 0.81 EGFR (0.53) ERBB2EGFRERBB4GAK
SCHEMBL4069530 0.81 EGFR (0.58) ERBB2EGFRERBB4
SCHEMBL4064546 0.78 EGFR (0.54) ERBB2EGFRGAK

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 ERBB2 1/4885EGFR 3/4885ERBB3 4/4885

“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.