SCHEMBL4460028

SCHEMBL4460028

Cc1cc(Nc2ncnc3ccc(N4CCOCC4)cc23)ccc1Oc1cccc(C(=O)NC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.61
MAPK14 Q16539 2/20 0.52
EGFR P00533 1/20 0.50
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
AHR P35869 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL4473748 0.89 ERBB2 (0.71) ERBB2MAPK14EGFR
SCHEMBL4455161 0.85 ERBB2 (0.47) ERBB2MAPK14EGFRMAPTMAPK1
SCHEMBL4461548 0.83 ERBB2 (0.58) ERBB2EGFRMAPT
SCHEMBL4463695 0.83 ERBB2 (0.81) ERBB2MAPK14MAPTMAPK1AHR
SCHEMBL5831394 0.83 ERBB2 (0.69) ERBB2MAPK14EGFR
SCHEMBL4458606 0.83 ERBB2 (0.66) ERBB2MAPK14EGFRMAPT
SCHEMBL4458949 0.82 ERBB2 (0.70) ERBB2EGFR
SCHEMBL4458707 0.82 ERBB2 (0.74) ERBB2EGFR
SCHEMBL4463380 0.82 EGFR (0.65) EGFRMAPT
SCHEMBL4461840 0.81 ERBB2 (0.70) 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 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 1183/4885MAPK14 3109/4885EGFR 166/4885

“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.