SCHEMBL3060372

SCHEMBL3060372

CNC(=O)c1ccc(Cl)nc1NCc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.48
MMP13 P45452 1/20 0.45
FLT1 P17948 3/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
PLAU P00749 1/20 0.42
STAT6 P42226 1/20 0.41

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
SCHEMBL429755 0.91 HTT (0.52) KDRMMP13MAPK1HTT
SCHEMBL3055165 0.85 KDM5B (0.49) KDRFLT1PLAU
SCHEMBL429462 0.83 KDR (0.71) KDRFLT1MAPK1
SCHEMBL476382 0.80 PGK1 (0.38) STAT6
SCHEMBL429454 0.80 KDR (0.73) KDRFLT1MAPK1
SCHEMBL429478 0.79 KDR (0.75) KDRFLT1
SCHEMBL14515126 0.77 KDR (0.40) KDRFLT1HTTPLAU
SCHEMBL429466 0.77 KDR (0.60) KDRFLT1
SCHEMBL3057584 0.75 L3MBTL1 (0.40) MAPK1HTT
SCHEMBL427507 0.73 KDR (0.69) KDRFLT1

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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 KDR 2406/4885MMP13 2819/4885FLT1 2431/4885

“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.