SCHEMBL4394582

SCHEMBL4394582

Nc1ncnc2cc(CN3CCN(C(=O)C=Cc4cc(Br)cs4)CC3=O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.53
GPR183 P32249 4/20 0.33
KCNH2 Q12809 2/20 0.33
ENPP2 Q13822 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1652758 1.00 F10 (0.53) F10GPR183KCNH2ENPP2SMN1; SMN2
SCHEMBL4387056 0.91 F10 (0.53) F10GPR183KCNH2ENPP2
SCHEMBL1653672 0.91 F10 (0.53) F10GPR183KCNH2ENPP2
SCHEMBL1651764 0.89 F10 (0.52) F10GPR183KCNH2ENPP2
SCHEMBL4393655 0.89 F10 (0.52) F10GPR183KCNH2ENPP2
SCHEMBL1651551 0.88 F10 (0.41) F10GPR183KCNH2ENPP2SMN1; SMN2
SCHEMBL1651548 0.88 F10 (0.41) F10GPR183KCNH2ENPP2SMN1; SMN2
SCHEMBL4390090 0.85 F10 (0.46) F10
SCHEMBL4390087 0.85 F10 (0.46) F10
SCHEMBL4385765 0.85 F10 (0.53) F10KCNH2ENPP2

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 12/4885GPR183 2816/4885KCNH2 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.