SCHEMBL554118

SCHEMBL554118

Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1C1(N)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
LPAR1 Q92633 1/20 0.36
SCN9A Q15858 1/20 0.35
KLKB1 P03952 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
TSHR P16473 1/20 0.34
FSHR P23945 1/20 0.34

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
SCHEMBL553661 0.75 KLKB1 (0.44) LCKGSK3BDYRK1ASCN9AKLKB1
SCHEMBL1909467 0.75 SYK (0.33)
SCHEMBL7314111 0.75 LCK (0.48) LCKSCN9A
SCHEMBL9887468 0.74 KLKB1 (0.44) LCKGSK3BDYRK1ASCN9AKLKB1
SCHEMBL1909155 0.73 LCK (0.44) LCKGSK3BDYRK1ASCN9AKLKB1
SCHEMBL554149 0.73 LCK (0.41) LCKGSK3BDYRK1ASCN9AKLKB1
SCHEMBL20355063 0.72 LCK (0.49) LCKGSK3BDYRK1ASCN9ACA1
SCHEMBL20350456 0.71 LCK (0.43) LCKSCN9AMAPKAPK2
SCHEMBL6469040 0.71 LCK (0.46) LCKGSK3BDYRK1ASCN9ACA1
SCHEMBL12225872 0.71 GSK3B (0.48) LCKGSK3BDYRK1ACA1CA12

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 LCK 1102/4885GSK3B 2229/4885DYRK1A 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.