SCHEMBL3157804

SCHEMBL3157804

CN[C@H](C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.44
F7 P08709 1/20 0.43
KLKB1 P03952 6/20 0.43
FURIN P09958 1/20 0.40
KLK1 P06870 1/20 0.40
F2 P00734 1/20 0.39
TSHR P16473 1/20 0.39
NAMPT P43490 1/20 0.39
CPB2 Q96IY4 1/20 0.37
CTSB P07858 1/20 0.37
TACR1 P25103 1/20 0.37
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37

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
SCHEMBL3157823 1.00 MASP2 (0.44) MASP2F7KLKB1FURINKLK1
SCHEMBL1432471 0.90 KLKB1 (0.42) MASP2F7KLKB1FURINKLK1
SCHEMBL3154110 0.90 KLKB1 (0.42) MASP2F7KLKB1FURINKLK1
SCHEMBL1900640 0.88 KLKB1 (0.43) MASP2F7KLKB1FURINKLK1
SCHEMBL1900645 0.88 KLKB1 (0.43) MASP2F7KLKB1FURINKLK1
SCHEMBL1434219 0.88 KLKB1 (0.42) MASP2F7KLKB1FURINKLK1
SCHEMBL3149682 0.88 MASP2 (0.43) MASP2F7KLKB1FURINKLK1
SCHEMBL3137925 0.88 KLKB1 (0.53) MASP2KLKB1KLK1
SCHEMBL3137935 0.88 KLKB1 (0.53) MASP2KLKB1KLK1
SCHEMBL1432060 0.87 KLKB1 (0.42) MASP2F7KLKB1FURINKLK1

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 MASP2 3039/4885F7 4272/4885KLKB1 3491/4885

“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.