SCHEMBL553953

SCHEMBL553953

CCOC(=O)c1cnn(Cc2ccc3nc(C)ccc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 12/20 0.58
GRM2 Q14416 2/20 0.54
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KLK1 P06870 2/20 0.43
MAOB P27338 2/20 0.42

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
SCHEMBL554388 0.86 KLKB1 (0.62) KLKB1NPC1RAB9AKLK1
SCHEMBL2819485 0.85 KLKB1 (0.55) KLKB1GRM2NPC1
SCHEMBL29391448 0.85 KLKB1 (0.63) KLKB1GRM2KLK1
SCHEMBL19779965 0.83 KLKB1 (0.54) KLKB1GRM2MAOB
SCHEMBL21355620 0.82 GRM2 (0.55) KLKB1GRM2NPC1RAB9A
SCHEMBL1909166 0.81 GRM2 (0.53) KLKB1GRM2NPC1KLK1
SCHEMBL18823499 0.80 SMN1; SMN2 (0.64) KLKB1KLK1
SCHEMBL28595790 0.80 ESR1 (0.55) KLKB1GRM2NPC1KLK1
SCHEMBL2821953 0.80 LMNA (0.54) KLKB1GRM2NPC1RAB9A
SCHEMBL3606832 0.79 SMN1; SMN2 (0.57) KLKB1GRM2

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 11 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
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
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
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 4526/4885GRM2 237/4885NPC1 1473/4885

“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.