SCHEMBL4079876

SCHEMBL4079876

CC(C)n1cc(C(=O)c2cncc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.65
NTRK1 P04629 18/20 0.62
KCNH2 Q12809 2/20 0.61
NTRK2 Q16620 2/20 0.61
NTRK3 Q16288 1/20 0.61
PDPK1 O15530 1/20 0.50

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
SCHEMBL4076457 0.90 PDGFRB (0.68) PDGFRBNTRK1KCNH2NTRK2NTRK3
SCHEMBL4076458 0.90 NTRK1 (0.75) PDGFRBNTRK1KCNH2NTRK2NTRK3
SCHEMBL4078771 0.89 PDGFRB (0.69) PDGFRBNTRK1KCNH2NTRK2NTRK3
SCHEMBL4081122 0.88 PDGFRB (0.76) PDGFRBNTRK1KCNH2NTRK2NTRK3
SCHEMBL4076443 0.86 NTRK1 (0.64) PDGFRBNTRK1KCNH2NTRK2NTRK3
SCHEMBL4089660 0.86 NTRK1 (0.56) PDGFRBNTRK1KCNH2NTRK2NTRK3
SCHEMBL4083225 0.85 PDGFRB (0.60) PDGFRBNTRK1KCNH2NTRK2NTRK3
SCHEMBL4086148 0.85 NTRK1 (0.67) PDGFRBNTRK1KCNH2NTRK2NTRK3
SCHEMBL4080523 0.85 NTRK1 (0.66) PDGFRBNTRK1KCNH2NTRK2NTRK3
SCHEMBL4080111 0.85 NTRK1 (0.64) PDGFRBNTRK1KCNH2NTRK2NTRK3

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 10 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 claimed
US-7595325-B2 Substituted pyrrolo[2,3-d]pyrimidine derivatives useful in cancer treatment PFIZER INC. (US) 2009-09-29 US claimed
EP-1773836-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT Pfizer Products Inc. (US) 2007-04-18 EP claimed
US-20060035912-A1 Pyrrolopyrimidine derivatives useful in cancer treatment PFIZER INC 2006-02-16 US claimed
WO-2005116035-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL IN CANCER TREATMENT PFIZER PRODUCTS INC. (US) 2005-12-08 WO claimed
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 PDGFRB 2700/4885NTRK1 3916/4885KCNH2 1718/4885

“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.