SCHEMBL4455092

SCHEMBL4455092

Cc1cc(Nc2c(C#N)cnc3ccc(N4CCOCC4)cc23)ccc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 12/20 0.52
EGFR P00533 9/20 0.49
TBK1 Q9UHD2 2/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MC4R P32245 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
PTK2B Q14289 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SRC P12931 1/20 0.45
JAK2 O60674 1/20 0.44
MAP2K1 Q02750 1/20 0.44

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
SCHEMBL4458764 0.93 ERBB2 (0.59) ERBB2EGFRTBK1MAP2K1
SCHEMBL4471219 0.91 ERBB2 (0.56) ERBB2EGFR
SCHEMBL4470660 0.85 ERBB2 (0.52) ERBB2EGFR
SCHEMBL4465391 0.84 ERBB2 (0.68) ERBB2EGFRSRCMAP2K1
SCHEMBL4464220 0.84 EGFR (0.57) ERBB2EGFR
SCHEMBL4464044 0.83 ERBB2 (0.68) ERBB2EGFR
SCHEMBL4462012 0.82 MAP2K1 (0.69) ERBB2EGFRSRCMAP2K1
SCHEMBL4469908 0.81 ERBB2 (0.63) ERBB2EGFRSRCMAP2K1
SCHEMBL4462173 0.79 EGFR (0.56) ERBB2EGFRMEN1LMNAGAA
SCHEMBL4463880 0.78 ERBB2 (0.52) 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 1183/4885EGFR 166/4885TBK1 4860/4885

“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.