SCHEMBL4076485

SCHEMBL4076485

CC(C)n1cc(C(=O)c2ccnc(NS(=O)(=O)c3ccccc3F)c2)c2c(N)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.64
NTRK2 Q16620 3/20 0.64
NTRK3 Q16288 2/20 0.64
KCNH2 Q12809 3/20 0.62
PDGFRB P09619 1/20 0.51
PDPK1 O15530 8/20 0.48
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46
ERBB3 P21860 2/20 0.46
TEK Q02763 2/20 0.46
ERBB4 Q15303 2/20 0.46
RET P07949 4/20 0.44
LCK P06239 2/20 0.44
SRC P12931 2/20 0.44
EIF2AK3 Q9NZJ5 1/20 0.43
AKT1 P31749 5/20 0.42
MTOR P42345 5/20 0.42

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
SCHEMBL4086042 0.89 NTRK1 (0.52) NTRK1NTRK2NTRK3KCNH2PDGFRB
SCHEMBL1939947 0.87 PDGFRB (0.62) NTRK1NTRK2NTRK3KCNH2PDGFRB
SCHEMBL4086058 0.86 NTRK1 (0.50) NTRK1NTRK2NTRK3KCNH2PDGFRB
SCHEMBL4251376 0.86 NTRK1 (0.68) NTRK1NTRK2NTRK3KCNH2PDGFRB
SCHEMBL4079511 0.85 NTRK1 (0.49) NTRK1NTRK2NTRK3KCNH2PDGFRB
SCHEMBL4080442 0.84 NTRK1 (0.58) NTRK1NTRK2NTRK3KCNH2PDGFRB
SCHEMBL4081490 0.84 PDPK1 (0.55) NTRK1NTRK2NTRK3KCNH2PDGFRB
SCHEMBL4089407 0.84 NTRK1 (0.85) NTRK1NTRK2NTRK3KCNH2PDGFRB
SCHEMBL1942841 0.84 EIF2AK3 (0.53) NTRK1NTRK2NTRK3KCNH2PDGFRB
SCHEMBL4081460 0.83 PDGFRB (0.61) NTRK1NTRK2NTRK3KCNH2PDGFRB

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 3916/4885NTRK2 4246/4885NTRK3 2158/4885

“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.