SCHEMBL4076458

SCHEMBL4076458

Cn1cc(C(=O)c2cncc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c2c(N)ncnc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 13/20 0.75
PDGFRB P09619 1/20 0.51
TEK Q02763 4/20 0.48
EGFR P00533 3/20 0.48
ERBB2 P04626 2/20 0.48
ERBB3 P21860 2/20 0.48
ERBB4 Q15303 2/20 0.48
KDR P35968 4/20 0.48
AURKB Q96GD4 3/20 0.48
NTRK2 Q16620 3/20 0.48
FLT1 P17948 3/20 0.48
KIT P10721 2/20 0.48
AURKA O14965 2/20 0.48
DYRK3 O43781 2/20 0.48
ROCK2 O75116 2/20 0.48
MAP4K4 O95819 2/20 0.48
LCK P06239 2/20 0.48
LYN P07948 2/20 0.48
RET P07949 2/20 0.48
FGFR1 P11362 2/20 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
SCHEMBL4079876 0.90 PDGFRB (0.65) NTRK1PDGFRBNTRK2KCNH2NTRK3
SCHEMBL4086316 0.89 NTRK1 (0.58) NTRK1PDGFRBTEKEGFRERBB2
SCHEMBL4084805 0.88 NTRK1 (0.57) NTRK1PDGFRBTEKEGFRERBB2
SCHEMBL4076382 0.88 NTRK1 (0.58) NTRK1PDGFRBTEKEGFRERBB2
SCHEMBL4083620 0.87 PDGFRB (0.59) NTRK1PDGFRBTEKEGFRERBB2
SCHEMBL17745362 0.85 NTRK1 (1.00) NTRK1
SCHEMBL4089657 0.85 EGFR (0.60) NTRK1PDGFRBTEKEGFRERBB2
SCHEMBL4081502 0.85 NTRK1 (0.57) NTRK1PDGFRBTEKEGFRERBB2
SCHEMBL4079606 0.85 NTRK1 (0.54) NTRK1TEKEGFRERBB2ERBB3
SCHEMBL4084036 0.84 NTRK1 (0.53) NTRK1PDGFRBTEKEGFRERBB2

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 3916/4885PDGFRB 2700/4885TEK 497/4885

“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.