SCHEMBL4064958

SCHEMBL4064958

N[C@@H]1CCN(Cc2cccc3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)C[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.62
EGFR P00533 16/20 0.62
PRKD3 O94806 1/20 0.60
PRKCG P05129 1/20 0.60
PRKCB P05771 1/20 0.60
LCK P06239 1/20 0.60
CDK1 P06493 1/20 0.60
MET P08581 1/20 0.60
PRKCA P17252 1/20 0.60
PRKCH P24723 1/20 0.60
KDR P35968 1/20 0.60
PRKCI P41743 1/20 0.60
PRKCE Q02156 1/20 0.60
PRKCQ Q04759 1/20 0.60
PRKCZ Q05513 1/20 0.60
PRKCD Q05655 1/20 0.60
PRKD1 Q15139 1/20 0.60

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
SCHEMBL4068149 0.91 ERBB2 (0.73) ERBB2EGFRPRKD3PRKCGPRKCB
SCHEMBL14208289 0.88 ERBB2 (0.56) ERBB2EGFRPRKD3PRKCGPRKCB
SCHEMBL5266181 0.82 ERBB2 (0.61) ERBB2EGFR
SCHEMBL4069343 0.82 ERBB2 (0.61) ERBB2EGFR
SCHEMBL4064952 0.81 ERBB2 (0.63) ERBB2EGFRPRKD3PRKCGPRKCB
SCHEMBL3373751 0.80 ERBB2 (0.69) ERBB2EGFR
SCHEMBL3377629 0.80 ERBB2 (0.71) ERBB2EGFR
SCHEMBL4066817 0.80 EGFR (0.52) ERBB2EGFRPRKD3LCKPRKCA
SCHEMBL4068899 0.80 EGFR (0.52) ERBB2EGFRPRKD3LCKPRKCA
Hydrochloric Acid SCHEMBL4029419 0.79 ERBB2 (0.70) ERBB2EGFR

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 10 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
EP-1863792-A1 ATP COMPETITIVE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2007-12-12 EP claimed
WO-2006104971-A1 ATP COMPETITIVE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-05 WO 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-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-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 3/4885PRKD3 773/4885

“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.