SCHEMBL553235

SCHEMBL553235

O=C(O)c1cn(Cc2ccc(CO)cc2)nn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.54
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
NOTUM Q6P988 1/20 0.50
MEN1 O00255 1/20 0.49
CASP3 P42574 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
GRM2 Q14416 1/20 0.48
CYP19A1 P11511 2/20 0.45
SCD O00767 1/20 0.44
HSP90AB1 P08238 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL17336919 0.87 NOTUM (0.58) TGM2ALDH1A1LMNANOTUMMEN1
SCHEMBL553716 0.87 ALDH1A1 (0.67) TGM2ALDH1A1LMNAMEN1CASP3
SCHEMBL17336894 0.86 TGM2 (0.52) TGM2ALDH1A1LMNAMEN1CASP3
SCHEMBL17336928 0.86 NPC1 (0.60) TGM2ALDH1A1LMNAMEN1CASP3
SCHEMBL553844 0.84 MEN1 (0.60) TGM2ALDH1A1LMNAMEN1CASP3
SCHEMBL1602867 0.83 MEN1 (0.60) TGM2ALDH1A1LMNAMEN1KMT2A
SCHEMBL24208572 0.82 TGM2 (0.66) TGM2ALDH1A1LMNAMEN1CASP3
SCHEMBL3657502 0.82 EGLN1 (0.53) TGM2ALDH1A1LMNAMEN1CASP3
SCHEMBL17336980 0.82 HSP90AA1 (0.61) TGM2ALDH1A1LMNAMEN1CASP3
SCHEMBL18796103 0.81 HDAC1 (0.53) TGM2ALDH1A1LMNAMEN1CASP3

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 11 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

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 TGM2 3178/4885ALDH1A1 1337/4885LMNA 1188/4885

“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.