SCHEMBL25318697

SCHEMBL25318697

Cc1cn(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2E1 P05181 1/20 0.45
CYP2A6 P11509 1/20 0.45
LPL P06858 12/20 0.42
LIPG Q9Y5X9 12/20 0.42
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL3558794 0.83 CYP2E1 (0.48) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL25320169 0.79 LPL (0.38) LPLLIPGCA1CA2CA9
SCHEMBL27985278 0.78 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3974694 0.76 PSEN1 (0.47)
SCHEMBL20401802 0.74 LIPG (0.56) LPLLIPGCA1CA2CA9
SCHEMBL15299297 0.74 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL2551536 0.74 LMNA (0.49) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL28484203 0.74 LPL (0.55) CYP1A2LPLLIPGCA1CA2
SCHEMBL25318414 0.73 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL21412302 0.73 CYP3A4 (0.38) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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
EP-4747244-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Limited (GB) 2026-05-27 EP disclosed
US-20250122173-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LTD (GB) 2025-04-17 US disclosed
WO-2025017306-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2025-01-23 WO disclosed
EP-4466071-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) Redx Pharma Limited (GB) 2024-11-27 EP disclosed
WO-2023139379-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) REDX PHARMA PLC (GB) 2023-07-27 WO disclosed
WO-2023139379-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) REDX PHARMA PLC (GB) 2023-07-27 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 (1 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-20250122173-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK1, ROCK2, RHOA CYP1A2 2949/4885CYP3A4 4414/4885CYP2D6 4482/4885

“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.