SCHEMBL4464007

SCHEMBL4464007

COc1cc2ncc(C#N)c(Nc3ccc(OC4CCN(C(=O)O)CC4)c(Cl)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.70
EGFR P00533 1/20 0.70
MAP2K1 Q02750 11/20 0.68
SRC P12931 7/20 0.65
ABL1 P00519 2/20 0.65
BCR P11274 2/20 0.65
MAPK3 P27361 2/20 0.63
MAPK1 P28482 2/20 0.63
IGF1R P08069 1/20 0.63
MAP3K1 Q13233 1/20 0.63
RAF1 P04049 1/20 0.63
FYN P06241 1/20 0.63

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
SCHEMBL4462012 0.93 MAP2K1 (0.69) ERBB2EGFRMAP2K1SRCMAPK3
SCHEMBL4462083 0.90 ERBB2 (0.76) ERBB2EGFRSRCABL1
SCHEMBL4473672 0.88 ERBB2 (0.65) ERBB2EGFRSRCABL1
SCHEMBL4473892 0.87 MAP2K1 (0.69) ERBB2EGFRMAP2K1SRCMAPK3
SCHEMBL4476645 0.86 EGFR (0.71) ERBB2EGFRMAP2K1SRCABL1
SCHEMBL22590135 0.85 ERBB2 (0.84) ERBB2EGFRSRCABL1
SCHEMBL6383141 0.83 EGFR (1.00) ERBB2EGFRMAP2K1SRCABL1
SCHEMBL4448781 0.82 MAP2K1 (0.84) ERBB2EGFRMAP2K1SRCABL1
SCHEMBL4465391 0.82 ERBB2 (0.68) ERBB2EGFRMAP2K1SRC
SCHEMBL4471219 0.82 ERBB2 (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth PFIZER INC 2004-12-02 US claimed
US-7585869-B2 Substituted heterocylces for the treatment of abnormal cell growth PFIZER, INC. (US) 2009-09-08 US disclosed
EP-1636195-A1 QUINAZOLINES AND PYRIDO[3,4-D]PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS Pfizer Products Inc. (US) 2006-03-22 EP disclosed
WO-2004106308-A1 QUINAZOLINES AND PYRIDO [3,4-D] PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-12-09 WO disclosed
US-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth PFIZER INC 2004-12-02 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-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth CCNA1, CCNT1, CCNY ERBB2 1183/4885EGFR 166/4885MAP2K1 4085/4885

“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.