SCHEMBL4471139

SCHEMBL4471139

COCCOc1cc2ncc(C#N)c(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1OCCOC

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.61
ERBB2 P04626 8/20 0.61
SRC P12931 9/20 0.59
MAP2K1 Q02750 3/20 0.55
RAF1 P04049 1/20 0.53

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
SCHEMBL4460993 0.90 EGFR (0.69) EGFRERBB2SRCMAP2K1RAF1
SCHEMBL4465654 0.84 MAP2K1 (0.76) EGFRERBB2SRCMAP2K1RAF1
SCHEMBL4463861 0.83 ERBB2 (0.61) EGFRERBB2SRCMAP2K1RAF1
SCHEMBL20395167 0.82 EGFR (0.61) EGFRERBB2SRCMAP2K1RAF1
SCHEMBL4475558 0.81 ERBB2 (0.57) EGFRERBB2SRCMAP2K1RAF1
SCHEMBL4466690 0.81 EGFR (0.61) EGFRERBB2
SCHEMBL4458932 0.81 EGFR (0.59) EGFRERBB2SRCMAP2K1RAF1
SCHEMBL20395260 0.79 EGFR (0.70) EGFRERBB2MAP2K1RAF1
SCHEMBL5651800 0.79 SRC (0.70) EGFRERBB2SRCMAP2K1
SCHEMBL4462442 0.77 EGFR (0.68) EGFRERBB2SRCMAP2K1RAF1

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 3 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
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 1183/4885SRC 2255/4885

“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.