SCHEMBL554179

SCHEMBL554179

O=C(O)c1cnn(Cc2ccc3ccccc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HSD17B10 Q99714 1/20 0.52
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
HSP90AB1 P08238 2/20 0.46
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
HPGDS O60760 1/20 0.44
ALKBH2 Q6NS38 1/20 0.44
TBXAS1 P24557 1/20 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
SCHEMBL553830 0.84 L3MBTL1 (0.62) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL2819485 0.82 KLKB1 (0.55) KLKB1KMT2AMEN1
SCHEMBL554388 0.81 KLKB1 (0.62) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL31352729 0.81 HSD17B10 (0.56) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL1912400 0.81 HSD17B10 (0.77) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL16247134 0.80 ALKBH1 (0.60) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL1703634 0.80 KMT2A (0.59) KLKB1L3MBTL1HSP90AB1KMT2AMEN1
SCHEMBL19299982 0.79 HSD17B10 (0.65) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL30755248 0.79 HSD17B10 (0.57) KLKB1L3MBTL1POLBTDP1HSD17B10
SCHEMBL3591944 0.79 HSD17B10 (0.61) L3MBTL1POLBTDP1HSD17B10KMT2A

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
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
US-20140378474-A1 5-membered heteroarylcarboxamide derivatives as plasma kallikrein inhibitors NOVARTIS AG (CH) 2014-12-25 US disclosed
EP-2807157-A1 5-MEMBERED HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Novartis AG (CH) 2014-12-03 EP disclosed
WO-2013111108-A1 5-MEMBERED HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS NOVARTIS AG (CH) 2013-08-01 WO 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 (2 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-20140378474-A1 5-membered heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885L3MBTL1 4120/4885POLB 4757/4885
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT KLKB1 4526/4885L3MBTL1 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.