SCHEMBL30865879

SCHEMBL30865879

NC(=O)c1ccc(C(=O)N(CCCn2ccnc2)c2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.38
TBXAS1 P24557 3/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL1082517 1.00 NAMPT (0.38) NAMPTTBXAS1ALDH1A1MEN1KMT2A
SCHEMBL30865874 0.86 NTRK1 (0.38)
SCHEMBL17783737 0.85 ALB (0.39)
SCHEMBL30865890 0.85 ALB (0.39)
SCHEMBL1593585 0.84 RORC (0.39)
SCHEMBL30865902 0.84 RORC (0.39)
SCHEMBL30865909 0.83 RORC (0.47) ALDH1A1
SCHEMBL30865911 0.83 ALB (0.40)
SCHEMBL30865894 0.82 PDK1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL17783748 0.81 ALB (0.41) ALDH1A1

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-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 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-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO NAMPT 2285/4885TBXAS1 1725/4885ALDH1A1 2371/4885

“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.