SCHEMBL19668268

SCHEMBL19668268

COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)O.COc1ccc(Br)c(C(N)=O)c1F

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.66
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2C8 P10632 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ F2 P00734 1/20 0.56
▸ F11 P03951 1/20 0.56

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
SCHEMBL19668267 0.89 KLKB1 (0.70) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL19668489 0.85 KLKB1 (0.71) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL17785380 0.85 KLKB1 (0.69) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL17784852 0.83 KLKB1 (0.67) KLKB1
SCHEMBL17785382 0.83 KLKB1 (0.75) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL17785346 0.81 KLKB1 (0.88) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL29365582 0.81 KLKB1 (0.70) KLKB1
SCHEMBL21145617 0.80 KLKB1 (0.64) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL21145618 0.79 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL17785395 0.78 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9F2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113387933-A Pyrazole derivatives as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2021-09-14 — — CN disclosed
CN-109311847-B Pyrazole derivatives as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2021-07-06 — — CN disclosed
EP-3567037-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2020-12-23 — — EP disclosed
CN-107108576-B N- ((hetero) arylmethyl) -heteroaryl-carboxamide compounds as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2020-03-10 — — CN disclosed
CN-110577519-A N- ((hetero) arylmethyl) -heteroaryl-carboxamide compounds as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2019-12-17 — — CN disclosed
EP-3464271-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2019-04-10 — — EP disclosed
EP-3464264-A1 POLYMORPHS OF N-[6-CYANO-2-FLUORO)-3-METHOXYPHENYL) METHYL]-3-(METHOXYMETHYL)-1-({4-[(2-OXOPYRIDIN-1-YL)METHYL]PHENYL}METHYL)PYRAZOLE-4-CARBOXAMIDE AS KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2019-04-10 — — EP disclosed
WO-2017207983-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-12-07 — — WO disclosed
WO-2017208002-A1 POLYMORPHS OF N-[6-CYANO-2-FLUORO)-3-METHOXYPHENYL) METHYL]-3-(METHOXYMETHYL)-1-({4-[(2-OXOPYRIDIN-1-YL)METHYL]PHENYL}METHYL)PYRAZOLE-4-CARBOXAMIDE AS KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-12-07 — — WO disclosed
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