SCHEMBL553449

SCHEMBL553449

O=C(O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
KDM5A P29375 3/20 0.46
KDM4C Q9H3R0 3/20 0.46
KDM5B Q9UGL1 3/20 0.46
KDM2B Q8NHM5 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
RBP4 P02753 1/20 0.42
CYP19A1 P11511 1/20 0.42
KDM4A O75164 1/20 0.42

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
SCHEMBL554255 0.85 KLKB1 (0.56) KLKB1HDAC1HDAC6HTTGAA
SCHEMBL3688462 0.81 KDM4C (0.57) KLKB1GAAKDM5AKDM4CKDM5B
SCHEMBL4737266 0.79 RBP4 (0.48) KLKB1KDM5AKDM4CKDM5BRBP4
SCHEMBL7078593 0.79 KDM4C (0.48) KLKB1KDM5AKDM4CKDM5BRBP4
SCHEMBL18796103 0.78 HDAC1 (0.53) KLKB1HDAC1HDAC6HTTGAA
SCHEMBL16246696 0.78 KLKB1 (0.66) KLKB1
SCHEMBL29277946 0.78 GAA (0.52) KLKB1HDAC1HDAC6HTTGAA
SCHEMBL31172693 0.78 MAPT (0.60) HDAC1HDAC6HTTGAAMAPT
SCHEMBL29303887 0.78 MEN1 (0.55) KLKB1HDAC1HDAC6HTTGAA
SCHEMBL28008789 0.78 NOS3 (0.49) KLKB1HDAC1HDAC6HTTGAA

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 KLKB1 4526/4885HDAC1 305/4885HDAC6 186/4885

“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.