SCHEMBL554280

SCHEMBL554280

Nc1nc(CO)cc2ccsc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.39
ADORA2A P29274 2/20 0.33
DYRK1A Q13627 2/20 0.32
CCR1 P32246 1/20 0.31
ADORA1 P30542 1/20 0.31
PIK3CA P42336 1/20 0.31
PI4KA P42356 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL554020 0.72 KLKB1 (0.36) KLKB1
SCHEMBL14842741 0.72 KDM4E (0.36) KLKB1ADORA2ADYRK1ACYP2A6
SCHEMBL1909419 0.66 NPC1 (0.50)
SCHEMBL6455853 0.63 HSP90AA1 (0.44) ADORA2ADYRK1AADORA1CYP2A6
SCHEMBL21437229 0.63 ACHE (0.37) CYP2A6
SCHEMBL29401092 0.63 ACHE (0.37) CYP2A6
SCHEMBL2015524 0.62 GRIN2D (0.44) ADORA2ACCR1PIK3CAPI4KAPI4KB
SCHEMBL4546455 0.62 CCR1 (0.50) ADORA2ACCR1PIK3CAPI4KAPI4KB
SCHEMBL23616677 0.62 S1PR4 (0.39) CYP2A6
SCHEMBL21438322 0.62 PARP1 (0.36) CYP2A6

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 KLKB1 4526/4885ADORA2A 355/4885DYRK1A 1683/4885

“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.