SCHEMBL4455071

SCHEMBL4455071

CCC(C)(C)NC(=O)c1ccc(Oc2ccc(Nc3ncnc4cnc(NCCN5CCOCC5)cc34)cc2C)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.82
EGFR P00533 8/20 0.56
KDR P35968 1/20 0.45
BRAF P15056 1/20 0.44
JAK3 P52333 1/20 0.44
ERBB4 Q15303 1/20 0.44

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
SCHEMBL4462037 0.94 ERBB2 (0.85) ERBB2EGFRKDRJAK3ERBB4
SCHEMBL4457555 0.93 ERBB2 (0.71) ERBB2EGFR
SCHEMBL4471797 0.90 ERBB2 (1.00) ERBB2EGFRKDR
SCHEMBL4468145 0.89 ERBB2 (0.81) ERBB2EGFRJAK3ERBB4
SCHEMBL4458707 0.87 ERBB2 (0.74) ERBB2EGFR
SCHEMBL4471048 0.87 ERBB2 (0.78) ERBB2EGFRBRAF
SCHEMBL4460717 0.87 ERBB2 (0.81) ERBB2BRAF
SCHEMBL4461563 0.86 ERBB2 (0.76) ERBB2EGFRBRAFJAK3ERBB4
SCHEMBL4465681 0.83 ERBB2 (0.87) ERBB2EGFR
SCHEMBL4476618 0.83 ERBB2 (0.72) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636195-A1 QUINAZOLINES AND PYRIDO[3,4-D]PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS Pfizer Products Inc. (US) 2006-03-22 EP claimed
WO-2004106308-A1 QUINAZOLINES AND PYRIDO [3,4-D] PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-12-09 WO 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 ERBB2 1183/4885EGFR 166/4885KDR 1855/4885

“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.