SCHEMBL3154010

SCHEMBL3154010

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.41
MASP2 O00187 3/20 0.40
NAMPT P43490 2/20 0.40
PDPK1 O15530 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40
FURIN P09958 1/20 0.39
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
HTRA1 Q92743 4/20 0.36
CPB2 Q96IY4 1/20 0.35
HDAC1 Q13547 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL1432500 1.00 KLKB1 (0.41) KLKB1MASP2NAMPTPDPK1PSMB1
SCHEMBL3147613 1.00 KLKB1 (0.41) KLKB1MASP2NAMPTPDPK1PSMB1
SCHEMBL3140131 0.93 KLKB1 (0.42) KLKB1MASP2NAMPTPDPK1PSMB1
SCHEMBL3140100 0.93 KLKB1 (0.42) KLKB1MASP2NAMPTPDPK1PSMB1
SCHEMBL3148689 0.92 KLKB1 (0.42) KLKB1MASP2NAMPTPDPK1PSMB1
SCHEMBL3148682 0.92 KLKB1 (0.42) KLKB1MASP2NAMPTPDPK1PSMB1
SCHEMBL3157306 0.91 KLKB1 (0.42) KLKB1MASP2NAMPTPDPK1PSMB1
SCHEMBL3157302 0.91 KLKB1 (0.42) KLKB1MASP2NAMPTPDPK1PSMB1
SCHEMBL3141334 0.90 KLKB1 (0.40) KLKB1MASP2NAMPTPDPK1PSMB1
SCHEMBL3141370 0.90 KLKB1 (0.40) KLKB1MASP2NAMPTPDPK1PSMB1

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 3491/4885MASP2 3039/4885NAMPT 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.