SCHEMBL4470035

SCHEMBL4470035

Cc1cc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)ccc1Oc1cccc(C(=O)NC2CCCCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 9/20 0.68
EGFR P00533 7/20 0.58
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
BRAF P15056 1/20 0.46
MAP3K8 P41279 1/20 0.45

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
SCHEMBL4471048 0.93 ERBB2 (0.78) ERBB2EGFRAURKAAURKBBRAF
SCHEMBL4458707 0.89 ERBB2 (0.74) ERBB2EGFRMAP3K8
SCHEMBL4465681 0.88 ERBB2 (0.87) ERBB2EGFR
SCHEMBL4457555 0.88 ERBB2 (0.71) ERBB2EGFRMAP3K8
SCHEMBL4467682 0.87 ERBB2 (0.64) ERBB2BRAF
SCHEMBL4461295 0.87 ERBB2 (0.67) ERBB2EGFRBRAF
SCHEMBL4476618 0.87 ERBB2 (0.72) ERBB2EGFRMAP3K8
SCHEMBL4459994 0.84 ERBB2 (0.63) ERBB2BRAF
SCHEMBL4463924 0.82 ERBB2 (0.63) ERBB2EGFRBRAF
SCHEMBL4462037 0.82 ERBB2 (0.85) ERBB2EGFRMAP3K8

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 166/4885AURKA 475/4885

“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.