SCHEMBL4088484

SCHEMBL4088484

Cc1cccc(NC(=O)Nc2ccnc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.64
NTRK2 Q16620 5/20 0.51
NTRK1 P04629 5/20 0.51
NTRK3 Q16288 4/20 0.51
AURKA O14965 3/20 0.51
AURKB Q96GD4 2/20 0.51
IKBKE Q14164 1/20 0.51
PDPK1 O15530 2/20 0.50
PLK4 O00444 3/20 0.49
MAP4K4 O95819 3/20 0.49
AXL P30530 3/20 0.49
LIMK1 P53667 3/20 0.49
CSNK1G2 P78368 3/20 0.49
MAP4K2 Q12851 3/20 0.49
STK3 Q13188 3/20 0.49
ROCK1 Q13464 3/20 0.49
MARK2 Q7KZI7 3/20 0.49
MINK1 Q8N4C8 3/20 0.49
HIPK4 Q8NE63 3/20 0.49
SLK Q9H2G2 3/20 0.49

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
SCHEMBL4081562 0.90 PDGFRB (0.63) PDGFRBNTRK2NTRK1NTRK3AURKA
SCHEMBL4088066 0.90 PDGFRB (0.70) PDGFRBNTRK2NTRK1NTRK3AURKA
SCHEMBL1941042 0.88 PDGFRB (0.80) PDGFRBNTRK2NTRK1NTRK3AURKA
SCHEMBL4083225 0.88 PDGFRB (0.60) PDGFRBNTRK2NTRK1NTRK3AURKA
SCHEMBL4083193 0.88 PDGFRB (0.64) PDGFRBNTRK2NTRK1NTRK3AURKA
SCHEMBL4076725 0.88 NTRK1 (0.58) PDGFRBNTRK2NTRK1NTRK3AURKA
SCHEMBL4086172 0.87 NTRK1 (0.68) PDGFRBNTRK2NTRK1NTRK3AURKA
SCHEMBL1941515 0.87 PDGFRB (0.67) PDGFRBNTRK2NTRK1NTRK3AURKA
SCHEMBL4076606 0.87 PDGFRB (0.62) PDGFRBNTRK2NTRK1NTRK3AURKA
SCHEMBL4080809 0.87 NTRK1 (0.58) PDGFRBNTRK2NTRK1NTRK3AURKA

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 PDGFRB 2700/4885NTRK2 4246/4885NTRK1 3916/4885

“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.