SCHEMBL4476555

SCHEMBL4476555

COc1cc2ncc(C#N)c(Nc3ccc(Oc4cccc(C(=O)NC(C)(C)C)c4)c(C)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.66
RAF1 P04049 2/20 0.66
MAPK3 P27361 1/20 0.66
MAPK1 P28482 1/20 0.66
SRC P12931 2/20 0.61
EGFR P00533 1/20 0.60
ERBB2 P04626 1/20 0.60
IGF1R P08069 1/20 0.58

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
SCHEMBL4473942 0.88 EGFR (0.61) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4463380 0.88 EGFR (0.65) MAP2K1SRCEGFR
SCHEMBL4475558 0.87 ERBB2 (0.57) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL4475814 0.87 MAP2K1 (0.66) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL4465654 0.84 MAP2K1 (0.76) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL14116957 0.83 MAP2K1 (0.82) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL4455161 0.83 ERBB2 (0.47) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL4465443 0.83 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL4451324 0.81 MAP2K1 (0.90) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL6386447 0.81 SRC (0.77) MAP2K1RAF1MAPK3MAPK1SRC

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 MAP2K1 4085/4885RAF1 155/4885MAPK3 1910/4885

“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.