SCHEMBL4089569

SCHEMBL4089569

Cc1ccccc1NC(=O)Nc1cncc(C(=O)c2cn(C)c3ncnc(N)c23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.53
KCNH2 Q12809 2/20 0.50
NTRK2 Q16620 2/20 0.50
NTRK3 Q16288 1/20 0.50
EGFR P00533 2/20 0.49
ERBB2 P04626 2/20 0.49
ERBB3 P21860 2/20 0.49
TEK Q02763 2/20 0.49
ERBB4 Q15303 2/20 0.49
PLK4 O00444 1/20 0.48
AURKA O14965 1/20 0.48
PDPK1 O15530 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
CHEK2 O96017 1/20 0.48
LCK P06239 1/20 0.48
CDK1 P06493 1/20 0.48
MET P08581 1/20 0.48
PIM1 P11309 1/20 0.48
PHKG2 P15735 1/20 0.48

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
SCHEMBL4089322 0.93 NTRK1 (0.51) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4080176 0.92 NTRK1 (0.52) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4076608 0.92 NTRK1 (0.53) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4084036 0.91 NTRK1 (0.53) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4076382 0.91 NTRK1 (0.58) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4086118 0.90 EGFR (0.54) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4078458 0.90 NTRK1 (0.56) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4090665 0.90 NTRK1 (0.59) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4086156 0.90 NTRK1 (0.51) NTRK1KCNH2NTRK2NTRK3PDGFRB
SCHEMBL1941623 0.89 EGFR (0.60) NTRK1NTRK2NTRK3EGFRERBB2

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 NTRK1 3916/4885KCNH2 1718/4885NTRK2 4246/4885

“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.