SCHEMBL3157640

SCHEMBL3157640

Cc1nc(N)ccc1CNC(=O)[CH]Cc1cccc(C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.46
MAP4K1 Q92918 1/20 0.44
F2 P00734 13/20 0.42
PRSS1 P07477 10/20 0.42
PRSS2 P07478 4/20 0.41
PRSS3 P35030 4/20 0.41
MASP2 O00187 2/20 0.40

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
SCHEMBL3155052 0.83 F2 (0.53) KLKB1F2PRSS1PRSS2PRSS3
SCHEMBL3144880 0.81 F2 (0.50) KLKB1F2PRSS1PRSS2PRSS3
SCHEMBL3141272 0.79 F10 (0.43) KLKB1F2PRSS1MASP2
SCHEMBL3149500 0.77 F2 (0.39) F2
SCHEMBL3157959 0.74 MLYCD (0.43) F2MASP2
SCHEMBL3153760 0.73 F2 (0.52) KLKB1F2PRSS1PRSS2PRSS3
SCHEMBL3149587 0.71 SLC6A2 (0.41) F2
SCHEMBL3140039 0.71 MAOB (0.35) KLKB1MAP4K1F2PRSS1PRSS2
SCHEMBL17442649 0.70 KLKB1 (0.57) KLKB1F2PRSS1PRSS2PRSS3
SCHEMBL23279842 0.69 F2 (0.53) KLKB1F2PRSS1PRSS2PRSS3

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 3491/4885MAP4K1 1576/4885F2 1046/4885

“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.