SCHEMBL4252871

SCHEMBL4252871

COc1cc(C(=O)c2cn(C(C)C)c3ncnc(Cl)c23)cc(N=C(c2ccccc2)c2ccccc2)n1.COc1cc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.47
NTRK1 P04629 6/20 0.43
NTRK2 Q16620 3/20 0.43
KCNH2 Q12809 3/20 0.43
NTRK3 Q16288 2/20 0.43
PDPK1 O15530 4/20 0.41
RET P07949 6/20 0.38
KDR P35968 6/20 0.38
LCK P06239 5/20 0.38
TEK Q02763 3/20 0.38
AURKA O14965 1/20 0.37
AKT1 P31749 1/20 0.37
MTOR P42345 1/20 0.37
GSK3B P49841 1/20 0.37
MARK1 Q9P0L2 1/20 0.37
EIF2AK3 Q9NZJ5 1/20 0.36
SRC P12931 3/20 0.36

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
SCHEMBL4086121 0.93 PDGFRB (0.42) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4080682 0.83 PDPK1 (0.55) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4084820 0.73 NTRK1 (0.55) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4085582 0.72 NTRK1 (0.65) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4076368 0.72 PDPK1 (0.58) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4086058 0.72 NTRK1 (0.50) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL4084830 0.69 NTRK1 (0.61) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL1942062 0.69 PDGFRB (0.67) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL1942060 0.68 PDGFRB (0.66) PDGFRBNTRK1NTRK2KCNH2NTRK3
SCHEMBL5316698 0.68 PDGFRB (0.55) 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 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 2700/4885NTRK1 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.