SCHEMBL553971

SCHEMBL553971

O=C(O)c1cnn(Cc2ccc(CO)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.63
L3MBTL1 Q9Y468 3/20 0.57
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KLKB1 P03952 4/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 4/20 0.47
MAPT P10636 1/20 0.43
HPGDS O60760 1/20 0.42
ALKBH2 Q6NS38 1/20 0.42
S1PR1 P21453 1/20 0.42
PLA2G4A P47712 1/20 0.42
RIPK1 Q13546 1/20 0.42
KLK1 P06870 1/20 0.42
PKM P14618 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41

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
SCHEMBL1912400 0.90 HSD17B10 (0.77) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL19299982 0.89 HSD17B10 (0.65) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL18816489 0.87 HSD17B10 (0.63) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL4019778 0.87 HSD17B10 (0.72) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL553830 0.87 L3MBTL1 (0.62) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL948453 0.86 HSD17B10 (0.61) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL17229366 0.86 KLKB1 (0.51) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL949903 0.86 HSD17B10 (0.61) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL31591076 0.86 KLKB1 (0.51) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL16246805 0.84 KLKB1 (0.62) HSD17B10L3MBTL1POLBTDP1KLKB1

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 12 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
CN-103080104-B N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein NOVARTIS AG 2015-04-08 CN 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
CN-103080104-A N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein NOVARTIS AG 2013-05-01 CN 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 HSD17B10 4277/4885L3MBTL1 4829/4885POLB 3993/4885

“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.