SCHEMBL3144641

SCHEMBL3144641

CN(C)C(C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(N)nc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
FURIN P09958 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KLKB1 P03952 3/20 0.40
MASP2 O00187 3/20 0.39
ALDH1A1 P00352 1/20 0.38
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
KLK1 P06870 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
SCHEMBL1432859 1.00 NAMPT (0.43) NAMPTFURINCTSSCTSKMEN1
SCHEMBL3153543 0.90 FURIN (0.43) NAMPTFURINKLKB1MASP2PSMB5
SCHEMBL3153517 0.90 FURIN (0.43) NAMPTFURINKLKB1MASP2PSMB5
SCHEMBL1901309 0.84 NAMPT (0.46) NAMPTFURINCTSSCTSKMEN1
SCHEMBL1904039 0.84 NAMPT (0.46) NAMPTFURINCTSSCTSKMEN1
SCHEMBL1904034 0.84 NAMPT (0.46) NAMPTFURINCTSSCTSKMEN1
SCHEMBL1906161 0.84 NAMPT (0.46) NAMPTFURINCTSSCTSKMEN1
SCHEMBL3150277 0.84 NAMPT (0.45) NAMPTFURINCTSSCTSKMEN1
SCHEMBL3150292 0.84 NAMPT (0.45) NAMPTFURINCTSSCTSKMEN1
SCHEMBL1432647 0.83 NAMPT (0.46) NAMPTFURINCTSSCTSKMEN1

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 NAMPT 1657/4885FURIN 2416/4885CTSS 3171/4885

“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.