SCHEMBL3154172

SCHEMBL3154172

CCN(C)C(CO)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.41
PDPK1 O15530 1/20 0.39
NAMPT P43490 1/20 0.38
PSMB5 P28074 2/20 0.38
PSMB1 P20618 1/20 0.38
PSMB2 P49721 1/20 0.38
FURIN P09958 1/20 0.38
MASP2 O00187 3/20 0.37
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
KLK1 P06870 1/20 0.34
PSMB8 P28062 1/20 0.34

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
SCHEMBL3154147 1.00 KLKB1 (0.41) KLKB1PDPK1NAMPTPSMB5PSMB1
SCHEMBL1432258 0.92 KLKB1 (0.42) KLKB1PDPK1NAMPTPSMB5PSMB1
SCHEMBL3143443 0.92 KLKB1 (0.42) KLKB1PDPK1NAMPTPSMB5PSMB1
SCHEMBL3149906 0.92 KLKB1 (0.42) KLKB1PDPK1NAMPTPSMB5PSMB1
SCHEMBL3148337 0.91 KLKB1 (0.51) KLKB1PSMB5PSMB1PSMB2MASP2
SCHEMBL1432378 0.91 KLKB1 (0.51) KLKB1PSMB5PSMB1PSMB2MASP2
SCHEMBL3141370 0.90 KLKB1 (0.40) KLKB1PDPK1NAMPTPSMB5PSMB1
SCHEMBL3141334 0.90 KLKB1 (0.40) KLKB1PDPK1NAMPTPSMB5PSMB1
SCHEMBL3148388 0.89 KLKB1 (0.42) KLKB1PDPK1NAMPTPSMB5PSMB1
SCHEMBL3148409 0.89 KLKB1 (0.42) KLKB1PDPK1NAMPTPSMB5PSMB1

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 KLKB1 3491/4885PDPK1 1972/4885NAMPT 1657/4885

“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.