SCHEMBL4086522

SCHEMBL4086522

COc1ccc(C)cc1NC(=O)Nc1cncc(C(=O)c2cn(C)c3ncnc(N)c23)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.63
ERBB2 P04626 2/20 0.63
ERBB3 P21860 2/20 0.63
TEK Q02763 2/20 0.63
ERBB4 Q15303 2/20 0.63
NTRK1 P04629 15/20 0.49
KCNH2 Q12809 2/20 0.47
NTRK2 Q16620 2/20 0.47
NTRK3 Q16288 1/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL4080535 0.91 EGFR (0.60) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4080176 0.90 NTRK1 (0.52) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4085672 0.88 TEK (0.62) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4076608 0.88 NTRK1 (0.53) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4081254 0.88 NTRK1 (0.51) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4076552 0.87 NTRK1 (0.61) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4088447 0.85 NTRK1 (0.60) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4084805 0.85 NTRK1 (0.57) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4089569 0.85 NTRK1 (0.53) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4078141 0.85 NTRK1 (0.54) EGFRERBB2ERBB3TEKERBB4

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
EP-1773836-B1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT PFIZER PROD INC (US) 2012-09-05 EP disclosed
US-7595325-B2 Substituted pyrrolo[2,3-d]pyrimidine derivatives useful in cancer treatment PFIZER INC. (US) 2009-09-29 US disclosed
EP-1773836-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT Pfizer Products Inc. (US) 2007-04-18 EP disclosed
US-20060035912-A1 Pyrrolopyrimidine derivatives useful in cancer treatment PFIZER INC 2006-02-16 US disclosed
WO-2005116035-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT PFIZER PRODUCTS INC. (US) 2005-12-08 WO 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-20060035912-A1 Pyrrolopyrimidine derivatives useful in cancer treatment TP53, DPYD, CCNT1 EGFR 864/4885ERBB2 1637/4885ERBB3 1775/4885

“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.