SCHEMBL22770629

SCHEMBL22770629

C[C@H]1CCN1c1nc(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)cc(C(F)(F)F)n1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 20/20 0.71

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
SCHEMBL22770648 0.93 KHK (0.70) KHK
SCHEMBL22770662 0.89 KHK (0.74) KHK
SCHEMBL22770693 0.89 KHK (0.78) KHK
SCHEMBL22770679 0.88 KHK (0.73) KHK
SCHEMBL25990202 0.87 KHK (0.52) KHK
SCHEMBL22791318 0.85 KHK (0.66) KHK
SCHEMBL22791494 0.85 KHK (0.66) KHK
SCHEMBL29466182 0.85 KHK (0.70) KHK
SCHEMBL28702332 0.85 KHK (0.70) KHK
SCHEMBL22791426 0.85 KHK (0.70) KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008036-B Disubstituted pyrazole compounds as ketohexokinase inhibitors 伊莱利利公司 2025-01-17 — — CN disclosed
US-11999722-B2 Disubstituted pyrazole compounds ELI LILLY AND COMPANY (US) 2024-06-04 — — US disclosed
EP-3983404-B1 DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHBITORS LILLY CO ELI (US) 2023-08-09 — — EP disclosed
EP-3983404-B1 DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHBITORS LILLY CO ELI (US) 2023-08-09 — — EP disclosed
EP-3983404-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHIBITORS ELI LILLY AND COMPANY (US) 2022-04-20 — — EP disclosed
CN-114008036-A Disubstituted pyrazole compounds as ketohexokinase inhibitors 伊莱利利公司 2022-02-01 — — CN disclosed
US-20220017496-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS ELI LILLY AND COMPANY 2022-01-20 — — US disclosed
US-20220017496-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS ELI LILLY AND COMPANY 2022-01-20 — — US disclosed
US-11124500-B2 Disubstituted pyrazole compounds ELI LILLY AND COMPANY (US) 2021-09-21 — — US disclosed
US-11124500-B2 Disubstituted pyrazole compounds ELI LILLY AND COMPANY (US) 2021-09-21 — — US disclosed
WO-2020257171-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHIBITORS ELI LILLY AND COMPANY (US) 2020-12-24 — — WO disclosed
WO-2020257171-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHIBITORS ELI LILLY AND COMPANY (US) 2020-12-24 — — WO disclosed
US-20200392118-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS ELI LILLY AND COMPANY 2020-12-17 — — US disclosed
US-20200392118-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS ELI LILLY AND COMPANY 2020-12-17 — — 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 (4 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-11124500-B2 Disubstituted pyrazole compounds SLC5A2, SLC5A1, GOT2 KHK 91/4885
US-11999722-B2 Disubstituted pyrazole compounds SLC5A2, SLC5A1, GOT2 KHK 93/4885
US-20200392118-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS SLC5A2, SLC5A1, GOT2 KHK 91/4885
US-20220017496-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS SLC5A2, SLC5A1, GOT2 KHK 93/4885

“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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