SCHEMBL4463689

SCHEMBL4463689

C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.65
ERBB2 P04626 7/20 0.62
FECH P22830 1/20 0.61
CDK8 P49336 1/20 0.61
MAP2K5 Q13163 1/20 0.61
CDK19 Q9BWU1 1/20 0.61
MKNK2 Q9HBH9 1/20 0.61
FYN P06241 6/20 0.59
SRC P12931 6/20 0.59
ERBB4 Q15303 2/20 0.58
ERBB3 P21860 1/20 0.58
BLK P51451 1/20 0.56
BMX P51813 1/20 0.56
JAK3 P52333 1/20 0.56
BTK Q06187 1/20 0.56

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
SCHEMBL4461900 0.90 ERBB2 (0.61) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL2252508 0.90 EGFR (0.62) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL2251910 0.88 EGFR (0.61) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL22200858 0.86 EGFR (0.61) EGFRERBB2FYNSRCERBB4
SCHEMBL24167252 0.86 ERBB2 (0.59) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL20780772 0.85 EGFR (0.67) EGFRERBB2FYNSRCERBB4
SCHEMBL2255551 0.84 ERBB2 (0.64) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL20780923 0.84 EGFR (0.60) EGFRERBB2FYNSRCERBB4
SCHEMBL12888225 0.83 EGFR (0.62) EGFRERBB2FYNSRCERBB4
SCHEMBL2251623 0.83 ERBB2 (0.53) EGFRERBB2FECHCDK8MAP2K5

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 166/4885ERBB2 1183/4885FECH 3295/4885

“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.