SCHEMBL553604

SCHEMBL553604

O=C(O)c1nc(Cc2ccccc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.53
TXNRD1 Q16881 1/20 0.53
NOX4 Q9NPH5 1/20 0.53
KLKB1 P03952 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.43
ALOX5 P09917 1/20 0.41
SMPD1 P17405 1/20 0.41
DGAT1 O75907 2/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL7263894 0.87 KLKB1 (0.51) CHUKTXNRD1NOX4KLKB1HDAC6
SCHEMBL553588 0.81 KLKB1 (0.49) CHUKTXNRD1NOX4KLKB1HDAC6
SCHEMBL11553918 0.77 MAPK1 (0.54) CHUKTXNRD1NOX4HDAC6NPC1
SCHEMBL11867175 0.77 CHUK (0.61) CHUKTXNRD1NOX4HDAC6NPC1
SCHEMBL4514479 0.75 SRD5A2 (0.48) CHUKTXNRD1NOX4KLKB1HDAC6
SCHEMBL563400 0.74 TSHR (0.51) CHUKTXNRD1NOX4HDAC6NPC1
SCHEMBL6528316 0.74 MAPK1 (0.57) CHUKTXNRD1NOX4NPC1RAB9A
SCHEMBL2656622 0.73 MAPK1 (0.61) CHUKTXNRD1NOX4KLKB1HDAC6
SCHEMBL433715 0.73 MAPK1 (0.53) CHUKTXNRD1NOX4KLKB1HDAC6
SCHEMBL1432043 0.72 RECQL (0.47) SMN1; SMN2TSHRMAPTCYP3A4CYP2C9

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 10 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-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 CHUK 138/4885TXNRD1 3891/4885NOX4 1806/4885

“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.