SCHEMBL4287792

SCHEMBL4287792

COc1cc(Oc2ncnc3ccn(C)c23)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.51
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL4286007 0.85 KDR (0.51) KDR
SCHEMBL4284980 0.84 KDR (0.56) KDR
SCHEMBL4285896 0.84 KDR (0.51) KDR
SCHEMBL29186532 0.80 KDR (0.53) KDR
SCHEMBL4278057 0.80 KDR (0.60) KDR
SCHEMBL4287177 0.78 KDR (0.60) KDR
SCHEMBL5824492 0.78 LCK (0.67) KDR
SCHEMBL4281520 0.74 KDR (0.47) KDR
SCHEMBL19223052 0.74 KDR (0.69) KDR
SCHEMBL31236170 0.73 CSF1R (0.59) KDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 KDR 2/4885ALDH1A1 2646/4885CYP3A4 1385/4885

“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.