SCHEMBL1909419

SCHEMBL1909419

CCOC(=O)c1cc2ccsc2c(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 4/20 0.46
POLB P06746 4/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
CHEK2 O96017 1/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
CYP2C19 P33261 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.40

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
Hydrochloric Acid SCHEMBL6980556 0.73 ALDH1A1 (0.52) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL19435974 0.72 CA12 (0.47) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL642702 0.71 CA12 (0.54) CYP1A2CYP3A4LMNAMAOA
SCHEMBL13853230 0.70 CYP1A2 (0.59) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL19731501 0.69 HSD17B2 (0.54) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL27739264 0.69 TSHR (0.45) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL642932 0.69 CA12 (0.43) NPC1RAB9AALDH1A1CYP1A2RXFP1
SCHEMBL6638825 0.69 MAPT (0.46) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL220846 0.68 RAB9A (0.97) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL13749721 0.68 CYP1A2 (0.51) NPC1RAB9AALDH1A1MAPTKMT2A

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
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 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

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 NPC1 1473/4885RAB9A 4147/4885ALDH1A1 1337/4885

“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.