SCHEMBL1909262

SCHEMBL1909262

C#CC(=O)NCc1c(C)cc(NC(=O)OC(C)(C)C)nc1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.47
LCK P06239 6/20 0.36
SCN9A Q15858 1/20 0.35
MAPKAPK2 P49137 2/20 0.34
BRD4 O60885 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
KDM4A O75164 1/20 0.33
MAP4K1 Q92918 1/20 0.33
PTGER1 P34995 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL4618882 0.87 KLKB1 (0.53) KLKB1LCKSCN9AMAPKAPK2BRD9
SCHEMBL12465537 0.84 KLKB1 (0.36) KLKB1MAP4K1
SCHEMBL19780340 0.84 KLKB1 (0.49) KLKB1LCKSCN9AMAPKAPK2BRD9
SCHEMBL19780339 0.83 KLKB1 (0.47) KLKB1LCKSCN9AMAPKAPK2BRD4
SCHEMBL19779934 0.82 KLKB1 (0.47) KLKB1LCKSCN9AMAPKAPK2KDM4A
SCHEMBL19780613 0.81 KLKB1 (0.49) KLKB1LCKSCN9AMAPKAPK2KDM4A
SCHEMBL9887468 0.80 KLKB1 (0.44) KLKB1LCKSCN9AGSK3BDYRK1A
SCHEMBL553661 0.79 KLKB1 (0.44) KLKB1LCKSCN9AMAPKAPK2GSK3B
SCHEMBL19779788 0.79 KLKB1 (0.49) KLKB1LCKSCN9AMAP4K1
SCHEMBL1909606 0.78 KLKB1 (0.55) KLKB1LCKSCN9AMAP4K1

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 6 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
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
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 4526/4885LCK 1102/4885SCN9A 1410/4885

“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.