SCHEMBL553917

SCHEMBL553917

CS(=O)(=O)OCc1ccc2ncc(Cl)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
KLKB1 P03952 16/20 0.38
MAP4K1 Q92918 12/20 0.38
PDE10A Q9Y233 1/20 0.38
TEC P42680 1/20 0.36

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
SCHEMBL28098263 0.77 KLKB1 (0.39) KLKB1MAP4K1TEC
SCHEMBL4049830 0.77 ALDH1A1 (0.46) METPDE10A
SCHEMBL21190199 0.76 KLKB1 (0.41) KLKB1MAP4K1
SCHEMBL22276493 0.76 CYP1A2 (0.41) KLKB1MAP4K1
SCHEMBL31663279 0.75 HTR3A (0.40) METPDE10ATEC
SCHEMBL17442812 0.74 KLKB1 (0.42) KLKB1MAP4K1
SCHEMBL554212 0.72 KLKB1 (0.44) KLKB1MAP4K1
Hydrochloric Acid SCHEMBL28309817 0.72 KLKB1 (0.41) KLKB1MAP4K1
SCHEMBL21190208 0.72 ALDH1A1 (0.47) KLKB1MAP4K1
SCHEMBL20919413 0.72 KDM4E (0.32)

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 5 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
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-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN Novartis AG (CH) 2013-06-12 EP 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 MET 987/4885KLKB1 4526/4885MAP4K1 1432/4885

“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.