SCHEMBL4088066

SCHEMBL4088066

CC(C)n1cc(C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccn2)c2c(N)ncnc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.70
NTRK1 P04629 4/20 0.51
NTRK2 Q16620 4/20 0.51
KCNH2 Q12809 3/20 0.51
NTRK3 Q16288 2/20 0.51
PDPK1 O15530 3/20 0.49
TEK Q02763 2/20 0.48
EGFR P00533 2/20 0.48
ERBB2 P04626 2/20 0.48
ERBB3 P21860 2/20 0.48
ERBB4 Q15303 2/20 0.48
KDR P35968 5/20 0.47
KIT P10721 2/20 0.47
RET P07949 4/20 0.46
LCK P06239 3/20 0.45
SRC P12931 2/20 0.45
FLT3 P36888 2/20 0.45
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
ROCK2 O75116 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
SCHEMBL4084742 0.91 PDGFRB (0.75) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4088484 0.90 PDGFRB (0.64) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4081562 0.90 PDGFRB (0.63) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4081125 0.89 PDGFRB (0.62) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4076152 0.89 PDGFRB (0.62) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4086132 0.89 PDGFRB (0.62) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL1940552 0.89 PDGFRB (0.88) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4076422 0.88 PDGFRB (0.71) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4078479 0.87 PDGFRB (0.75) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4083225 0.87 PDGFRB (0.60) PDGFRBNTRK1NTRK2KCNH2NTRK3

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 PDGFRB 2700/4885NTRK1 3916/4885NTRK2 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.