SCHEMBL13416194

SCHEMBL13416194

CCC(C)[C@@H](N)C(=O)N[C@@H](CC1CCCC2CCCCC21)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.41
▸ PSMB10 P40306 8/20 0.40
▸ PSMB2 P49721 6/20 0.40
▸ PSMB5 P28074 1/20 0.37
▸ FURIN P09958 1/20 0.35
▸ CPB2 Q96IY4 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PSMB1 P20618 1/20 0.34
▸ PSMB8 P28062 1/20 0.34

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
SCHEMBL1432891 1.00 MASP2 (0.41) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1431906 1.00 MASP2 (0.41) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1431619 0.92 MASP2 (0.42) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1431622 0.92 MASP2 (0.42) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL3147941 0.92 MASP2 (0.42) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1432232 0.91 MASP2 (0.43) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL3148239 0.91 MASP2 (0.43) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1432229 0.91 MASP2 (0.43) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1431747 0.88 PSMB10 (0.46) MASP2PSMB10PSMB2PSMB5FURIN
SCHEMBL1903263 0.87 MASP2 (0.40) MASP2PSMB10PSMB2PSMB5FURIN

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 disclosed
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 3039/4885PSMB10 2852/4885PSMB2 2867/4885

“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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