SCHEMBL4455161

SCHEMBL4455161

Cc1cc(Nc2c(C#N)cnc3ccc(N4CCOCC4)cc23)ccc1Oc1cccc(C(=O)NC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 9/20 0.47
EGFR P00533 8/20 0.44
GAA P10253 4/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
MC4R P32245 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CLK1 P49759 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
MAP2K1 Q02750 3/20 0.43
RAF1 P04049 2/20 0.43
SRC P12931 2/20 0.42
TP53 P04637 1/20 0.42
MAPK3 P27361 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL4460028 0.85 ERBB2 (0.61) ERBB2EGFRMAPTMAPK1HTT
SCHEMBL4467287 0.85 ERBB2 (0.61) ERBB2EGFRGAAMAPTMAPK1
SCHEMBL4465543 0.84 ERBB2 (0.50) ERBB2EGFRMAP2K1RAF1MAP3K8
SCHEMBL4476555 0.83 MAP2K1 (0.66) ERBB2EGFRMAPK1MAP2K1RAF1
SCHEMBL4473942 0.83 EGFR (0.61) ERBB2EGFRMAP2K1RAF1SRC
SCHEMBL4462173 0.82 EGFR (0.56) ERBB2EGFRGAAMAPTMAPK1
SCHEMBL4471834 0.82 EGFR (0.58) ERBB2EGFRMAP3K8
SCHEMBL4475558 0.80 ERBB2 (0.57) ERBB2EGFRMAP2K1RAF1SRC
SCHEMBL4462099 0.78 EGFR (0.56) ERBB2EGFRMAPK1MAP2K1RAF1
SCHEMBL4455092 0.77 ERBB2 (0.52) ERBB2EGFRGAAMAPTLMNA

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 1183/4885EGFR 166/4885GAA 970/4885

“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.