SCHEMBL3141397

SCHEMBL3141397

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.43
FURIN P09958 1/20 0.41
MASP2 O00187 3/20 0.40
KLK1 P06870 5/20 0.40
F7 P08709 1/20 0.40
HTRA1 Q92743 2/20 0.37
TSHR P16473 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
SCHEMBL3141379 1.00 KLKB1 (0.43) KLKB1FURINMASP2KLK1F7
SCHEMBL1432421 0.92 KLKB1 (0.41) KLKB1FURINMASP2KLK1F7
SCHEMBL3137896 0.89 KLKB1 (0.45) KLKB1FURINMASP2KLK1HTRA1
SCHEMBL1432675 0.89 KLKB1 (0.45) KLKB1FURINMASP2KLK1HTRA1
SCHEMBL1900645 0.88 KLKB1 (0.43) KLKB1FURINMASP2KLK1F7
SCHEMBL1900640 0.88 KLKB1 (0.43) KLKB1FURINMASP2KLK1F7
SCHEMBL3143740 0.87 KLKB1 (0.43) KLKB1FURINMASP2KLK1HTRA1
SCHEMBL3143721 0.87 KLKB1 (0.43) KLKB1FURINMASP2KLK1HTRA1
SCHEMBL3149326 0.87 KLKB1 (0.41) KLKB1FURINMASP2KLK1F7
SCHEMBL3148655 0.87 KLKB1 (0.41) KLKB1FURINMASP2KLK1F7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US claimed
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 3491/4885FURIN 2416/4885MASP2 3039/4885

“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.