SCHEMBL553050

SCHEMBL553050

Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(N(C(=O)O)C(C)(C)C)nc4C)nn3)ccc2n1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.72
KLK1 P06870 2/20 0.50

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
SCHEMBL553850 0.86 KLKB1 (0.73) KLKB1
SCHEMBL15142745 0.84 KLKB1 (0.82) KLKB1KLK1
SCHEMBL12465561 0.84 KLKB1 (0.79) KLKB1KLK1
SCHEMBL554413 0.84 KLKB1 (1.00) KLKB1
SCHEMBL15142579 0.82 KLKB1 (0.79) KLKB1KLK1
SCHEMBL554273 0.81 KLKB1 (0.72) KLKB1
SCHEMBL15145217 0.81 KLKB1 (0.77) KLKB1KLK1
SCHEMBL1909286 0.81 KLKB1 (0.71) KLKB1KLK1
SCHEMBL554009 0.78 KLKB1 (1.00) KLKB1
SCHEMBL15142287 0.77 KLKB1 (0.72) KLKB1KLK1

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-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 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-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT KLKB1 4526/4885KLK1 4476/4885

“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.