SCHEMBL4476645

SCHEMBL4476645

COc1cc2ncnc(Nc3ccc(OC4CCN(C(=O)O)CC4)c(Cl)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.71
KDR P35968 12/20 0.68
SRC P12931 5/20 0.68
BRAF P15056 4/20 0.68
EPHB4 P54760 2/20 0.68
LCK P06239 2/20 0.68
RET P07949 2/20 0.68
MET P08581 2/20 0.68
MAPT P10636 2/20 0.68
LTK P29376 2/20 0.68
TNK2 Q07912 2/20 0.68
MAP4K5 Q9Y4K4 2/20 0.68
CIT O14578 1/20 0.68
GAK O14976 1/20 0.68
EPHB6 O15197 1/20 0.68
ABCC4 O15439 1/20 0.68
DAPK3 O43293 1/20 0.68
RIPK2 O43353 1/20 0.68
NR1I2 O75469 1/20 0.68
RPS6KA4 O75676 1/20 0.68

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
SCHEMBL4468777 0.92 ERBB2 (0.67) EGFRKDRSRCBRAFEPHB4
SCHEMBL4461895 0.88 EGFR (0.73) EGFRKDREPHB4ERBB2EPHA2
SCHEMBL4466847 0.88 ERBB2 (0.58) EGFRKDRSRCBRAFEPHB4
SCHEMBL4466222 0.86 ERBB2 (0.69) EGFRERBB2
SCHEMBL4464007 0.86 ERBB2 (0.70) EGFRSRCABL1ERBB2FYN
SCHEMBL4461439 0.85 ERBB2 (0.74) EGFRKDRSRCBRAFEPHB4
SCHEMBL4416773 0.84 EGFR (0.71) EGFRKDRSRCBRAFEPHB4
Gefitinib SCHEMBL17241499 0.83 EGFR (0.87) EGFRKDRSRCBRAFEPHB4
SCHEMBL12536465 0.83 EGFR (0.70) EGFRKDRSRCBRAFEPHB4
SCHEMBL15591842 0.83 EGFR (0.89) EGFRKDRSRCBRAFEPHB4

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
US-7585869-B2 Substituted heterocylces for the treatment of abnormal cell growth PFIZER, INC. (US) 2009-09-08 US claimed
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 EGFR 166/4885KDR 1855/4885SRC 2255/4885

“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.