SCHEMBL4463380

SCHEMBL4463380

COc1cc2ncnc(Nc3ccc(Oc4cccc(C(=O)NC(C)(C)C)c4)c(C)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.65
KDR P35968 8/20 0.65
SRC P12931 4/20 0.65
AURKA O14965 4/20 0.65
AURKB Q96GD4 2/20 0.65
ROCK2 O75116 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
RET P07949 1/20 0.65
MET P08581 1/20 0.65
MAPT P10636 1/20 0.65
PDGFRA P16234 1/20 0.65
LTK P29376 1/20 0.65
TTK P33981 1/20 0.65
MAP2K2 P36507 1/20 0.65
MAP2K1 Q02750 1/20 0.65
BTK Q06187 1/20 0.65
TYRO3 Q06418 1/20 0.65
TNK2 Q07912 1/20 0.65

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
SCHEMBL4461548 0.90 ERBB2 (0.58) EGFRKDRSRCAURKAAURKB
SCHEMBL4476555 0.88 MAP2K1 (0.66) EGFRSRCMAP2K1
SCHEMBL4475956 0.86 ERBB2 (0.67) EGFRKDR
SCHEMBL4472340 0.85 ERBB2 (0.77) EGFRKDRSRCAURKAAURKB
SCHEMBL4458707 0.84 ERBB2 (0.74) EGFR
SCHEMBL4460028 0.82 ERBB2 (0.61) EGFRMAPT
SCHEMBL4454994 0.82 SRC (0.73) EGFRKDRSRCAURKAAURKB
SCHEMBL4460760 0.81 ERBB2 (0.65) EGFRKDRAURKAAURKB
SCHEMBL4473748 0.81 ERBB2 (0.71) EGFRBRAF
SCHEMBL4458635 0.81 SRC (0.76) EGFRKDRSRCAURKAAURKB

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 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.