SCHEMBL553405

SCHEMBL553405

CCOC(=O)c1cnn(Cc2ccc(C(=O)NC(C)C)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 5/20 0.64
▸ KLK1 P06870 1/20 0.64
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 5/20 0.48
▸ LMNA P02545 4/20 0.47
▸ GRM2 Q14416 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ PLA2G1B P04054 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ POLB P06746 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
SCHEMBL28818259 0.85 KLKB1 (0.69) KLKB1KLK1KDM4EALDH1A1LMNA
SCHEMBL1909166 0.85 GRM2 (0.53) KLKB1KLK1KDM4EALDH1A1LMNA
SCHEMBL553854 0.84 HSD17B10 (0.60) KLKB1KLK1KDM4EALDH1A1LMNA
SCHEMBL2821953 0.84 LMNA (0.54) KLKB1ALDH1A1LMNAGRM2MAPT
SCHEMBL28595790 0.84 ESR1 (0.55) KLKB1KLK1KDM4EALDH1A1LMNA
SCHEMBL553801 0.83 GRM2 (0.53) KLKB1KLK1KDM4EALDH1A1LMNA
SCHEMBL3092869 0.83 HSD17B10 (0.51) KLKB1KDM4EALDH1A1LMNAGRM2
SCHEMBL554548 0.83 GRM2 (0.51) KLKB1KLK1KDM4EALDH1A1LMNA
SCHEMBL16246754 0.83 KLKB1 (0.57) KLKB1ALDH1A1LMNAGRM2
SCHEMBL30739426 0.82 GRM2 (0.50) KLKB1KLK1KDM4EALDH1A1LMNA

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-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
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 4526/4885KLK1 4476/4885KDM4E 927/4885

“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.

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