SCHEMBL21081704

SCHEMBL21081704

COCc1nn(Cc2cnc3cc(Cl)ccc3c2)cc1C(=O)O.COc1cccc(C(N)=O)c1F

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.70
▸ F11 P03951 3/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2C9 P11712 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
SCHEMBL17785338 0.86 KLKB1 (0.94) KLKB1F11CYP3A4CYP2C8CYP2C9
SCHEMBL31339410 0.86 KLKB1 (0.63) KLKB1F11
SCHEMBL17785263 0.86 KLKB1 (0.63) KLKB1F11
SCHEMBL28379609 0.84 KLKB1 (0.78) KLKB1F11CYP3A4CYP2C8CYP2C9
SCHEMBL17785285 0.83 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL19682322 0.80 KLKB1 (0.84) KLKB1F11
SCHEMBL17785314 0.78 KLKB1 (0.65) KLKB1F11
SCHEMBL28279003 0.77 KLKB1 (0.53) KLKB1
SCHEMBL28279023 0.76 KLKB1 (0.53) KLKB1
SCHEMBL17785303 0.73 KLKB1 (0.58) KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3556752-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-05 — — EP disclosed
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-3760622-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2021-01-06 — — EP disclosed
EP-3567037-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2020-12-23 — — EP disclosed
EP-3464271-B1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2020-05-13 — — 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-3567037-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2019-11-13 — — EP disclosed
EP-3556752-A1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2019-10-23 — — EP disclosed
EP-3224256-B1 N-((HET)ARYLMETHYL)-HETEROARYL-CARBOXAMIDES COMPOUNDS AS PLASMA KALLIKREIN INHIBITORS, KALVISTA PHARMACEUTICALS LTD (GB) 2019-07-03 — — EP disclosed
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