SCHEMBL1909302

SCHEMBL1909302

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(CO)cc2ccsc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.33
ADORA2A P29274 2/20 0.33
PDPK1 O15530 1/20 0.33
GBA1 P04062 1/20 0.33
GRM2 Q14416 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PTPRB P23467 1/20 0.31

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
SCHEMBL20387999 0.70 MEN1 (0.40) GBA1PTPRB
SCHEMBL4696750 0.69 SYK (0.32) PDPK1
SCHEMBL8818187 0.69 SYK (0.34) PDPK1
SCHEMBL3543455 0.68 ADORA2B (0.33) ADORA2BADORA2APDPK1GBA1
SCHEMBL19477815 0.67 SSTR4 (0.35) PDPK1NPC1RAB9A
SCHEMBL17674555 0.67 MEN1 (0.37) GBA1PTPRB
SCHEMBL18120920 0.67 MAP2K4 (0.34) ADORA2BADORA2APDPK1GBA1
SCHEMBL554280 0.65 KLKB1 (0.39) ADORA2A
SCHEMBL23022156 0.65 LCK (0.34) PDPK1GRM2
SCHEMBL2302271 0.65 NOTUM (0.39) PDPK1NPC1RAB9A

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 ADORA2B 368/4885ADORA2A 355/4885PDPK1 4032/4885

“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.