SCHEMBL4086090

SCHEMBL4086090

CC(C)n1cc(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)cc3)n2)c2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 12/20 0.56
AKT1 P31749 8/20 0.55
MTOR P42345 8/20 0.55
NTRK1 P04629 5/20 0.52
AURKA O14965 3/20 0.52
GSK3B P49841 3/20 0.52
MARK1 Q9P0L2 3/20 0.52
NTRK3 Q16288 1/20 0.49
NTRK2 Q16620 1/20 0.49
PDGFRB P09619 1/20 0.48
KCNH2 Q12809 1/20 0.48
RET P07949 4/20 0.47
LCK P06239 2/20 0.47
SRC P12931 2/20 0.47
EIF2AK3 Q9NZJ5 1/20 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
SCHEMBL4085610 0.92 PDGFRB (0.57) PDPK1AKT1MTORNTRK1AURKA
SCHEMBL4081490 0.87 PDPK1 (0.55) PDPK1AKT1MTORNTRK1AURKA
SCHEMBL4076329 0.84 PDGFRB (0.63) PDPK1AKT1MTORNTRK1AURKA
SCHEMBL1940398 0.83 PDGFRB (0.63) PDPK1AKT1MTORNTRK1AURKA
SCHEMBL4086357 0.83 NTRK1 (0.53) PDPK1AKT1MTORNTRK1AURKA
SCHEMBL1941537 0.83 PDGFRB (0.50) PDPK1AKT1MTORNTRK1AURKA
SCHEMBL4251376 0.83 NTRK1 (0.68) PDPK1AKT1MTORNTRK1AURKA
SCHEMBL4088005 0.80 NTRK1 (0.73) PDPK1AKT1MTORNTRK1AURKA
SCHEMBL4089428 0.80 PDGFRB (0.63) PDPK1AKT1MTORNTRK1AURKA
SCHEMBL4076616 0.79 NTRK1 (0.61) PDPK1AKT1MTORNTRK1AURKA

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 PDPK1 947/4885AKT1 1601/4885MTOR 2126/4885

“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.