SCHEMBL1909362

SCHEMBL1909362

Cc1nc(N)cc(O)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PPARG P37231 1/20 0.37
STAT3 P40763 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
IL4 P05112 1/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
IKBKB O14920 3/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL30370553 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL553686 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL24401823 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL11641734 0.80 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL1911795 0.77 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL554234 0.76 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL18300545 0.75 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL554373 0.74 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL16377044 0.73 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL18368422 0.73 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10MAPK1

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
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

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 KDM4E 927/4885ALDH1A1 1337/4885HPGD 1090/4885

“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.