SCHEMBL4086542

SCHEMBL4086542

Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)c3cn(C)c4ncnc(N)c34)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.49
KCNH2 Q12809 2/20 0.49
NTRK2 Q16620 2/20 0.49
NTRK3 Q16288 1/20 0.49
PIK3CB P42338 1/20 0.47
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ERBB3 P21860 1/20 0.43
TEK Q02763 1/20 0.43
ERBB4 Q15303 1/20 0.43
EIF2AK3 Q9NZJ5 4/20 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
SCHEMBL4076505 0.93 NTRK1 (0.57) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4089434 0.93 NTRK1 (0.48) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4079475 0.91 NTRK1 (0.49) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4080163 0.90 NTRK1 (0.49) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4085723 0.88 NTRK1 (0.52) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4086285 0.88 NTRK1 (0.49) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL1939880 0.88 EGFR (0.55) EGFRERBB2ERBB3TEKERBB4
SCHEMBL4076555 0.87 NTRK1 (0.50) NTRK1KCNH2NTRK2NTRK3EGFR
SCHEMBL4076407 0.87 NTRK1 (0.51) NTRK1KCNH2NTRK2NTRK3PIK3CB
SCHEMBL4080424 0.87 NTRK1 (0.48) NTRK1KCNH2NTRK2NTRK3EGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.