SCHEMBL4080547

SCHEMBL4080547

CC(C)n1cc(C(=O)c2ccnc(NC(=O)Nc3ccc(Cl)cc3)c2)c2c(N)ncnc21

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.78
NTRK1 P04629 9/20 0.70
NTRK2 Q16620 3/20 0.70
NTRK3 Q16288 2/20 0.70
KCNH2 Q12809 3/20 0.61
EGFR P00533 2/20 0.54
ERBB2 P04626 2/20 0.54
ERBB3 P21860 2/20 0.54
ERBB4 Q15303 2/20 0.54
TEK Q02763 1/20 0.54
PDPK1 O15530 2/20 0.51
FLT3 P36888 1/20 0.51
RET P07949 5/20 0.50
LCK P06239 2/20 0.49
SRC P12931 2/20 0.49
KDR P35968 1/20 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
SCHEMBL4078080 0.91 NTRK1 (0.80) PDGFRBNTRK1NTRK2NTRK3KCNH2
SCHEMBL4078479 0.91 PDGFRB (0.75) PDGFRBNTRK1NTRK2NTRK3KCNH2
SCHEMBL4262415 0.89 NTRK1 (0.74) PDGFRBNTRK1NTRK2NTRK3KCNH2
SCHEMBL4078162 0.88 NTRK1 (0.73) PDGFRBNTRK1NTRK2NTRK3KCNH2
SCHEMBL4084765 0.88 NTRK1 (0.78) PDGFRBNTRK1NTRK2NTRK3KCNH2
SCHEMBL1941784 0.88 PDGFRB (1.00) PDGFRBNTRK1NTRK2NTRK3KCNH2
SCHEMBL4081058 0.87 NTRK1 (0.74) PDGFRBNTRK1NTRK2NTRK3KCNH2
SCHEMBL1939775 0.87 PDGFRB (0.77) PDGFRBNTRK1NTRK2NTRK3KCNH2
SCHEMBL4086172 0.86 NTRK1 (0.68) PDGFRBNTRK1NTRK2NTRK3KCNH2
SCHEMBL1940867 0.86 PDGFRB (0.78) PDGFRBNTRK1NTRK2NTRK3KCNH2

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.