SCHEMBL553828

SCHEMBL553828

Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cc[nH]c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.53
MAP4K1 Q92918 1/20 0.38
SCN3A Q9NY46 2/20 0.38
SCN4A P35499 1/20 0.38
LCK P06239 3/20 0.36
SCN9A Q15858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL574005 0.86 KLKB1 (0.42) KLKB1MAP4K1TAS2R8
SCHEMBL1909606 0.86 KLKB1 (0.55) KLKB1MAP4K1LCKSCN9A
SCHEMBL19779960 0.83 KLKB1 (0.50) KLKB1MAP4K1LCKSCN9AL3MBTL1
SCHEMBL19779750 0.82 KLKB1 (0.49) KLKB1MAP4K1LCKSCN9AL3MBTL1
SCHEMBL4618882 0.81 KLKB1 (0.53) KLKB1LCKSCN9A
SCHEMBL19780613 0.80 KLKB1 (0.49) KLKB1MAP4K1LCKSCN9A
SCHEMBL19780340 0.79 KLKB1 (0.49) KLKB1LCKSCN9A
SCHEMBL19779788 0.78 KLKB1 (0.49) KLKB1MAP4K1LCKSCN9AL3MBTL1
SCHEMBL1909262 0.77 KLKB1 (0.47) KLKB1MAP4K1LCKSCN9A
SCHEMBL19779934 0.77 KLKB1 (0.47) KLKB1MAP4K1LCKSCN9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 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-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT KLKB1 4526/4885MAP4K1 1432/4885SCN3A 209/4885

“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.