SCHEMBL25258601

SCHEMBL25258601

CC(C)(C)OC(=O)c1ccc2[nH]ncc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
GABRA1 P14867 9/20 0.39
GABRG2 P18507 9/20 0.39
GABRB3 P28472 9/20 0.39
GABRA3 P34903 9/20 0.39
GABRA2 P47869 9/20 0.39
GABRA5 P31644 7/20 0.39
GABRA6 Q16445 6/20 0.39
GABRA4 P48169 5/20 0.39
NOS1 P29475 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRE P78334 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
ROCK1 Q13464 2/20 0.37
CDK2 P24941 4/20 0.36

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
SCHEMBL31171850 1.00 ROCK2 (0.39) ROCK2GABRA1GABRG2GABRB3GABRA3
SCHEMBL1580264 0.84 TSHR (0.47) NOS1CDK2CCNA2CCNA1
SCHEMBL1580629 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12384998 0.79 NOS1 (0.43) ROCK2NOS1ROCK1CDK2CCNE1
SCHEMBL20916501 0.79 GABRA1 (0.36) ROCK2GABRA1GABRG2GABRB3GABRA3
SCHEMBL20916406 0.78 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30294912 0.77 NOS1 (0.44) NOS1ROCK1CDK2CCNA2CCNA1
SCHEMBL25977503 0.72 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL31057108 0.71 GABRG2 (0.38) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL25299567 0.71 GABRG2 (0.38) GABRA1GABRG2GABRB3GABRA2GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441735-B2 Nitrogen-containing heterocyclic compound having NRF2 activation effect CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-10-14 US disclosed
US-20250171457-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-05-29 US disclosed
US-20250084093-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-03-13 US disclosed
EP-4446312-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-10-16 EP disclosed
CN-118488944-A Nitrogen-containing heterocyclic compound having Nrf2 activation 中外制药株式会社 2024-08-13 CN disclosed
WO-2023132369-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT 中外製薬株式会社 2023-07-13 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 (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-12441735-B2 Nitrogen-containing heterocyclic compound having NRF2 activation effect KEAP1, NFE2L2, BACH1 ROCK2 912/4885GABRA1 2492/4885GABRG2 3270/4885
US-20250171457-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 ROCK2 912/4885GABRA1 2492/4885GABRG2 3270/4885
US-20250084093-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT KEAP1, NFE2L2, BACH1 ROCK2 899/4885GABRA1 2506/4885GABRG2 3301/4885

“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.