SCHEMBL4393655

SCHEMBL4393655

Nc1ncnc2cc(CN3CCN(C(=O)C=Cc4ccc(Br)s4)CC3=O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.52
EGFR P00533 1/20 0.33
KCNH2 Q12809 1/20 0.33
ENPP2 Q13822 1/20 0.33
GRM2 Q14416 2/20 0.32
GPR183 P32249 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL1651764 1.00 F10 (0.52) F10EGFRKCNH2ENPP2GRM2
SCHEMBL1652496 0.91 F10 (0.53) F10KCNH2ENPP2GRM2
SCHEMBL4385765 0.91 F10 (0.53) F10KCNH2ENPP2GRM2
SCHEMBL1652758 0.89 F10 (0.53) F10KCNH2ENPP2GPR183
SCHEMBL4394582 0.89 F10 (0.53) F10KCNH2ENPP2GPR183
SCHEMBL4394574 0.85 F10 (0.45) F10EGFRGRM2
SCHEMBL1653672 0.85 F10 (0.53) F10KCNH2ENPP2GPR183
SCHEMBL4387056 0.85 F10 (0.53) F10KCNH2ENPP2GPR183
SCHEMBL1652917 0.85 F10 (0.45) F10EGFRGRM2
SCHEMBL1652859 0.84 F10 (0.55) F10GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US claimed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 F10 12/4885EGFR 2327/4885KCNH2 709/4885

“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.