SCHEMBL3139166

SCHEMBL3139166

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.42
MASP2 O00187 3/20 0.39
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB2 P49721 1/20 0.39
FURIN P09958 1/20 0.38
PDPK1 O15530 1/20 0.38
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
NAMPT P43490 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3139156 1.00 KLKB1 (0.42) KLKB1MASP2PSMB1PSMB5PSMB2
SCHEMBL3146076 0.95 KLKB1 (0.43) KLKB1MASP2PSMB1PSMB5PSMB2
SCHEMBL1432363 0.95 KLKB1 (0.43) KLKB1MASP2PSMB1PSMB5PSMB2
SCHEMBL3148409 0.91 KLKB1 (0.42) KLKB1MASP2PSMB1PSMB5PSMB2
SCHEMBL3148388 0.91 KLKB1 (0.42) KLKB1MASP2PSMB1PSMB5PSMB2
SCHEMBL3150285 0.91 MASP2 (0.41) KLKB1MASP2PSMB5FURINNAMPT
SCHEMBL3150256 0.91 MASP2 (0.41) KLKB1MASP2PSMB5FURINNAMPT
SCHEMBL3153708 0.89 PSMB1 (0.40) KLKB1MASP2PSMB1PSMB5PSMB2
SCHEMBL3153674 0.89 PSMB1 (0.40) KLKB1MASP2PSMB1PSMB5PSMB2
SCHEMBL3140131 0.89 KLKB1 (0.42) KLKB1MASP2PSMB1PSMB5PSMB2

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 3039/4885PSMB1 2799/4885

“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.