SCHEMBL553409

SCHEMBL553409

CCCCOC(=O)c1nc(Cc2ccccc2)n(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
CYP3A4 P08684 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
KLKB1 P03952 1/20 0.44
EGFR P00533 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 5/20 0.42
RIPK1 Q13546 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
ESR1 P03372 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL553847 0.79 KLKB1 (0.53) KLKB1LMNARIPK1SMN1; SMN2NR1H2
SCHEMBL23337069 0.76 KLKB1 (0.54) L3MBTL1KLKB1RIPK1NR1H2
SCHEMBL553327 0.74 TSHR (0.50) TSHRALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL21037484 0.73 ADORA3 (0.46) TSHRALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL25314055 0.72 NR1H2 (0.49) TSHRALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1232510 0.72 ALDH1A1 (0.69) TSHRALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL8084590 0.72 TSHR (0.64) TSHRALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL21037483 0.69 ALDH1A1 (0.52) TSHRALDH1A1L3MBTL1TDP1LMNA
SCHEMBL21037180 0.68 ADORA3 (0.46) TSHRALDH1A1L3MBTL1TDP1LMNA
SCHEMBL2478193 0.68 TSHR (0.55) TSHRALDH1A1MAPK1L3MBTL1CYP3A4

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 9 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-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

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 TSHR 3301/4885ALDH1A1 1337/4885MAPK1 1733/4885

“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.