SCHEMBL4088447

SCHEMBL4088447

COc1ccc(NC(=O)Nc2cncc(C(=O)c3cn(C)c4ncnc(N)c34)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.60
KCNH2 Q12809 2/20 0.50
NTRK2 Q16620 2/20 0.50
NTRK3 Q16288 1/20 0.50
PDGFRB P09619 1/20 0.49
TEK Q02763 3/20 0.46
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46
ERBB3 P21860 2/20 0.46
ERBB4 Q15303 2/20 0.46
KIT P10721 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL4076552 0.91 NTRK1 (0.61) NTRK1KCNH2NTRK2NTRK3PDGFRB
SCHEMBL4081254 0.90 NTRK1 (0.51) NTRK1KCNH2NTRK2NTRK3TEK
SCHEMBL4086258 0.89 NTRK1 (0.59) NTRK1KCNH2NTRK2NTRK3PDGFRB
SCHEMBL4088469 0.89 NTRK1 (0.72) NTRK1KCNH2NTRK2NTRK3PDGFRB
SCHEMBL4076382 0.89 NTRK1 (0.58) NTRK1KCNH2NTRK2NTRK3PDGFRB
SCHEMBL4088526 0.89 NTRK1 (0.64) NTRK1KCNH2NTRK2NTRK3PDGFRB
SCHEMBL1941221 0.88 PDGFRB (0.63) NTRK1NTRK2PDGFRBTEKEGFR
SCHEMBL4089637 0.88 NTRK1 (0.57) NTRK1KCNH2NTRK2NTRK3PDGFRB
SCHEMBL4081683 0.87 NTRK1 (0.64) NTRK1KCNH2NTRK2NTRK3PDGFRB
SCHEMBL4088513 0.86 NTRK1 (0.56) NTRK1KCNH2NTRK2NTRK3PDGFRB

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.