SCHEMBL21145590

SCHEMBL21145590

COc1ccc(C#N)c(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N(C)C)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 1.00
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2C8 P10632 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ F2 P00734 1/20 0.58
▸ F11 P03951 1/20 0.58

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
SCHEMBL21145552 0.90 KLKB1 (0.82) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL21145619 0.90 KLKB1 (0.82) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL29835923 0.89 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL17785277 0.89 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL17785437 0.85 KLKB1 (1.00) KLKB1
SCHEMBL19668262 0.84 KLKB1 (0.81) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL21145554 0.84 KLKB1 (0.80) KLKB1
SCHEMBL21145597 0.84 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9
SCHEMBL21145572 0.82 KLKB1 (1.00) KLKB1CYP3A4CYP2C8CYP2C9F2
SCHEMBL21145568 0.82 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002275-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-06 — — US claimed
CN-113387933-A Pyrazole derivatives as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2021-09-14 — — CN claimed
EP-3760622-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2021-01-06 — — EP claimed
US-20190218205-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-07-18 — — US claimed
US-20220002275-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-06 — — US disclosed
US-11180484-B2 Pyrazole derivatives as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-11-23 — — US 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-3464271-B1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2020-05-13 — — EP disclosed
US-20190218205-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-07-18 — — US 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 (3 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-11180484-B2 Pyrazole derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885CYP3A4 551/4885CYP2C8 1329/4885
US-20220002275-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 KLKB1 2/4885CYP3A4 1365/4885CYP2C8 2310/4885
US-20190218205-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885CYP3A4 551/4885CYP2C8 1329/4885

“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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