SCHEMBL3149376

SCHEMBL3149376

Nc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)C(N)Cc2ccc(Cl)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.43
KLKB1 P03952 6/20 0.42
KLK1 P06870 2/20 0.41
EPHX2 P34913 1/20 0.40
FURIN P09958 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
NFKB1 P19838 1/20 0.38
PSMB5 P28074 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 1/20 0.37
F7 P08709 1/20 0.37
PRCP P42785 1/20 0.37
PTPN1 P18031 2/20 0.37
PTPN2 P17706 1/20 0.37
CTSC P53634 1/20 0.36
TACR1 P25103 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
SCHEMBL1431486 1.00 MASP2 (0.43) MASP2KLKB1KLK1EPHX2FURIN
SCHEMBL3153048 0.93 KLKB1 (0.49) MASP2KLKB1KLK1PRCP
SCHEMBL1431700 0.93 KLKB1 (0.49) MASP2KLKB1KLK1PRCP
SCHEMBL3153403 0.88 MASP2 (0.45) MASP2EPHX2ROCK2ROCK1F7
Hydrochloric Acid SCHEMBL1432721 0.87 MASP2 (0.45) MASP2EPHX2ROCK2ROCK1F7
Hydrochloric Acid SCHEMBL1432716 0.87 MASP2 (0.45) MASP2EPHX2ROCK2ROCK1F7
SCHEMBL1431982 0.85 MASP2 (0.47) MASP2KLKB1KLK1NFKB1PSMB5
SCHEMBL3149512 0.85 MASP2 (0.47) MASP2KLKB1KLK1NFKB1PSMB5
SCHEMBL3155114 0.85 MAPK14 (0.43) MASP2KLKB1KLK1
SCHEMBL1431882 0.85 MAPK14 (0.43) MASP2KLKB1KLK1

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 3039/4885KLKB1 3491/4885KLK1 3749/4885

“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.