SCHEMBL4066817

SCHEMBL4066817

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.52
ERBB2 P04626 3/20 0.50
LCK P06239 2/20 0.50
KDR P35968 1/20 0.50
DYRK1A Q13627 2/20 0.48
CIT O14578 1/20 0.48
CHEK1 O14757 1/20 0.48
GAK O14976 1/20 0.48
STK10 O94804 1/20 0.48
PRKD3 O94806 1/20 0.48
ABL1 P00519 1/20 0.48
FYN P06241 1/20 0.48
YES1 P07947 1/20 0.48
LYN P07948 1/20 0.48
RET P07949 1/20 0.48
HCK P08631 1/20 0.48
SRC P12931 1/20 0.48
PHKG2 P15735 1/20 0.48
PRKCA P17252 1/20 0.48
PRKACA P17612 1/20 0.48

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
SCHEMBL4068899 1.00 EGFR (0.52) EGFRERBB2LCKKDRDYRK1A
SCHEMBL4066483 0.90 EGFR (0.52) EGFRERBB2LCKDYRK1ACIT
SCHEMBL4064966 0.88 EGFR (0.53) EGFRERBB2LCKDYRK1ACIT
SCHEMBL5266181 0.86 ERBB2 (0.61) EGFRERBB2GAKERBB4
SCHEMBL4069343 0.86 ERBB2 (0.61) EGFRERBB2GAKERBB4
SCHEMBL9898652 0.86 EGFR (0.51) EGFRERBB2LCKKDRDYRK1A
SCHEMBL9898657 0.86 EGFR (0.51) EGFRERBB2LCKKDRDYRK1A
SCHEMBL9898650 0.86 EGFR (0.51) EGFRERBB2LCKKDRDYRK1A
SCHEMBL4064546 0.84 EGFR (0.54) EGFRERBB2LCKDYRK1ACIT
SCHEMBL4065659 0.82 EGFR (0.52) EGFRERBB2LCKDYRK1ACIT

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 3/4885ERBB2 1/4885LCK 35/4885

“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.