SCHEMBL1431764

SCHEMBL1431764

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 1/20 0.42
▸ KLKB1 P03952 4/20 0.41
▸ MASP2 O00187 3/20 0.40
▸ F7 P08709 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KLK1 P06870 2/20 0.38
▸ F2 P00734 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ HTRA1 Q92743 1/20 0.37
▸ S1PR2 O95136 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ EPHX2 P34913 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
SCHEMBL1431775 1.00 FURIN (0.42) FURINKLKB1MASP2F7TSHR
SCHEMBL1431904 0.92 MASP2 (0.40) FURINKLKB1MASP2F7TSHR
SCHEMBL1431907 0.92 MASP2 (0.40) FURINKLKB1MASP2F7TSHR
SCHEMBL1432595 0.90 MASP2 (0.39) FURINKLKB1MASP2F7TSHR
SCHEMBL1432599 0.90 MASP2 (0.39) FURINKLKB1MASP2F7TSHR
SCHEMBL1432668 0.88 KLKB1 (0.44) KLKB1MASP2F7KLK1F2
SCHEMBL1432672 0.88 KLKB1 (0.44) KLKB1MASP2F7KLK1F2
SCHEMBL1432067 0.87 KLKB1 (0.42) FURINKLKB1MASP2F7TSHR
SCHEMBL1432060 0.87 KLKB1 (0.42) FURINKLKB1MASP2F7TSHR
SCHEMBL3149326 0.86 KLKB1 (0.41) FURINKLKB1MASP2F7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO 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 FURIN 2416/4885KLKB1 3491/4885MASP2 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.

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