SCHEMBL554857

SCHEMBL554857

Cc1cc2cc(Cn3cc(C(=O)O)cn3)ccc2n1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.61
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 4/20 0.47
THRB P10828 2/20 0.47
ALOX15 P16050 6/20 0.47
PABPC1 P11940 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 9/20 0.46
KMT2A Q03164 9/20 0.46
HPGD P15428 6/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
GAA P10253 2/20 0.46
CASP1 P29466 1/20 0.46
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL1909605 0.87 KLKB1 (0.61) KLKB1KDM4EALDH1A1THRBALOX15
SCHEMBL553968 0.86 KLKB1 (0.58) KLKB1KDM4EALDH1A1THRBALOX15
SCHEMBL553788 0.82 KLKB1 (0.62) KLKB1KDM4EL3MBTL1HSD17B10MEN1
SCHEMBL553147 0.78 KLKB1 (0.79) KLKB1
SCHEMBL554179 0.77 KLKB1 (0.55) KLKB1L3MBTL1HSD17B10MEN1KMT2A
SCHEMBL554388 0.77 KLKB1 (0.62) KLKB1KDM4EL3MBTL1HSD17B10TDP1
SCHEMBL554241 0.77 KLKB1 (1.00) KLKB1
SCHEMBL17612230 0.77 KLKB1 (0.48) KLKB1KDM4EALDH1A1THRBALOX15
SCHEMBL948453 0.76 HSD17B10 (0.61) KLKB1KDM4EALDH1A1THRBL3MBTL1
SCHEMBL16246805 0.75 KLKB1 (0.62) KLKB1KDM4EALDH1A1L3MBTL1HSD17B10

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 6 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
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
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
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 4526/4885KDM4E 927/4885ALDH1A1 1337/4885

“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.