Sugi Predict

Sugi Predict / Compounds / SCHEMBL27140279

SCHEMBL27140279

SCHEMBL27140279

Cc1c(N)cc2c(c1C)NC(=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 1/20 0.42
▸ BRD4 O60885 6/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ BRDT Q58F21 1/20 0.36
▸ CYP11B1 P15538 4/20 0.35
▸ CYP11B2 P19099 4/20 0.35
▸ CYP19A1 P11511 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CRBN Q96SW2 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ SRD5A1 P18405 4/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL27145390 0.85 CA9 (0.39) CA9BRD4BRD2BRD3BRDT
SCHEMBL12956542 0.79 CA9 (0.42) CA9BRD4BRD2BRD3BRDT
SCHEMBL27136344 0.75 CA9 (0.42) CA9CYP11B1CYP11B2CYP19A1NPC1
SCHEMBL7268522 0.75 CA9 (0.46) CA9BRD4BRD2BRD3BRDT
SCHEMBL30893028 0.73 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP1A2ALDH1A1
SCHEMBL27140179 0.73 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP1A2ALDH1A1
SCHEMBL9709031 0.72 CA9 (0.50) CA9BRD4BRD2BRD3BRDT
SCHEMBL23674880 0.71 CA9 (0.54) CA9BRD4BRD2BRD3BRDT
SCHEMBL18513655 0.71 CA9 (0.42) CA9CYP11B1CYP11B2CYP19A1NPC1
SCHEMBL30893045 0.70 NPC1 (0.41) CA9BRD4NPC1MAPK13MAPK12

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-20240343709-A1 SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS THE TRUSTEES OF PRINCETON UNIVERSITY 2024-10-17 — — US disclosed
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors KAYOTHERA INC. (US) 2024-08-06 — — US disclosed
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KAYOTHERA INC. (US) 2024-04-25 — — US disclosed
CN-117897370-A Heterocyclic compounds and their use 凯悦施那有限公司 2024-04-16 — — CN disclosed
EP-4326696-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kayothera Inc. (US) 2024-02-28 — — EP disclosed
WO-2022226383-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KAYOTHERA INC. (US) 2022-10-27 — — 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 (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-20240343709-A1 SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS ALDH3A1, ALDH2, ALDH1A2 CA9 579/4885BRD4 1102/4885BRD2 1072/4885
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors ALDH3A1, ALDH2, ALDH1A2 CA9 579/4885BRD4 1102/4885BRD2 1072/4885
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, ALDH2, PDK1 CA9 475/4885BRD4 899/4885BRD2 1178/4885

“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.