SCHEMBL4463695

SCHEMBL4463695

Cc1cc(Nc2ncnc3ccc(N4CCOCC4)cc23)ccc1Oc1ccc(C(=O)NCC(C)(C)C)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.81
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
AHR P35869 1/20 0.47
HTT P42858 1/20 0.47
MAPK14 Q16539 1/20 0.46
PI4KB Q9UBF8 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
SCHEMBL4461313 0.89 ERBB2 (1.00) ERBB2
SCHEMBL4467287 0.85 ERBB2 (0.61) ERBB2MAPTMAPK1HTTMAPK14
SCHEMBL4471797 0.83 ERBB2 (1.00) ERBB2
SCHEMBL4458787 0.83 ERBB2 (0.79) ERBB2MAPT
SCHEMBL4460028 0.83 ERBB2 (0.61) ERBB2MAPTMAPK1AHRHTT
SCHEMBL4471083 0.83 ERBB2 (0.79) ERBB2
SCHEMBL4462275 0.82 ERBB2 (1.00) ERBB2
SCHEMBL4472340 0.82 ERBB2 (0.77) ERBB2MAPT
SCHEMBL4476619 0.82 ERBB2 (0.86) ERBB2
SCHEMBL4475657 0.81 ERBB2 (1.00) ERBB2MAPK14

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 1183/4885MAPT 4753/4885MAPK1 859/4885

“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.