SCHEMBL23875712

SCHEMBL23875712

CN(C)CCOc1cc(B2OC(C)(C)C(C)(C)O2)c(F)c2nc(-c3ccccc3)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ ADORA2A P29274 4/20 0.35
▸ ADORA1 P30542 3/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ PKN2 Q16513 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ BRSK1 Q8TDC3 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ HIPK2 Q9H2X6 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ MAP4K5 Q9Y4K4 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34

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
SCHEMBL23876080 0.92 ACHE (0.41) ACHEADORA2AADORA1DYRK3MAP4K4
SCHEMBL23875618 0.84 TNKS (0.40) MAP4K4PIM1CSNK2A1PIM3CLK4
SCHEMBL30060851 0.80 HTR7 (0.44) ACHEHTR7ADORA2AADORA1DYRK3
SCHEMBL23875711 0.80 HTR7 (0.44) ACHEHTR7ADORA2AADORA1DYRK3
SCHEMBL23875620 0.75 TNKS (0.40) POLBMAPT
SCHEMBL30060840 0.73 HTR7 (0.40) ACHEHTR7ADORA2AADORA1DYRK3
SCHEMBL25282940 0.73 HTR7 (0.40) ACHEHTR7ADORA2AADORA1DYRK3
SCHEMBL23875604 0.67 ACHE (0.44) ACHEADORA2AADORA1DYRK3MAP4K4
SCHEMBL23875662 0.67 GAA (0.42) ACHEHTR7ADORA2AADORA1DYRK3
SCHEMBL29778258 0.64 HTR1B (0.49) HTR7KDM4EHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — US disclosed
WO-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 — — 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-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 ACHE 41/4885HTR7 2208/4885ADORA2A 948/4885

“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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