SCHEMBL4086172

SCHEMBL4086172

Cc1cccc(NC(=O)Nc2cc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)ccn2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.68
NTRK2 Q16620 4/20 0.68
NTRK3 Q16288 2/20 0.68
PDGFRB P09619 1/20 0.68
KCNH2 Q12809 3/20 0.60
EGFR P00533 6/20 0.50
TEK Q02763 5/20 0.50
ERBB2 P04626 5/20 0.50
ERBB3 P21860 5/20 0.50
ERBB4 Q15303 5/20 0.50
AURKA O14965 1/20 0.49
IKBKE Q14164 1/20 0.49
AURKB Q96GD4 1/20 0.49
RET P07949 4/20 0.48
LCK P06239 2/20 0.48
SRC P12931 2/20 0.48
PDPK1 O15530 1/20 0.48
KDR P35968 3/20 0.46
FLT3 P36888 1/20 0.46
PLK4 O00444 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
SCHEMBL1941042 0.91 PDGFRB (0.80) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL4078479 0.91 PDGFRB (0.75) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL4080553 0.91 NTRK1 (0.77) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL1940934 0.88 PDGFRB (0.68) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL4088484 0.87 PDGFRB (0.64) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL1942239 0.87 PDGFRB (0.79) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL4078080 0.86 NTRK1 (0.80) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL4084765 0.86 NTRK1 (0.78) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL4080547 0.86 PDGFRB (0.78) NTRK1NTRK2NTRK3PDGFRBKCNH2
SCHEMBL4078771 0.86 PDGFRB (0.69) NTRK1NTRK2NTRK3PDGFRBKCNH2

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 2 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
US-20060035912-A1 Pyrrolopyrimidine derivatives useful in cancer treatment PFIZER INC 2006-02-16 US 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.