Sugi Predict

Sugi Predict / Compounds / SCHEMBL22016240

SCHEMBL22016240

SCHEMBL22016240

Cn1c(=O)n(C(C)(C)C)c(=O)c2cnccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.43
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ HPD P32754 2/20 0.37
▸ FEN1 P39748 2/20 0.35
▸ ERCC1 P07992 1/20 0.35
▸ ERCC4 Q92889 1/20 0.35
▸ TOP2A P11388 1/20 0.35
▸ KDM5A P29375 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ CMA1 P23946 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ MAOA P21397 4/20 0.33
▸ MAOB P27338 4/20 0.33
▸ ACHE P22303 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
SCHEMBL22016239 0.88 ADORA3 (0.43) GRM4ADORA3ADORA2AADORA1HPD
SCHEMBL4547797 0.87 ADORA3 (0.36) GRM4ADORA3ADORA2AADORA1HPD
SCHEMBL12049021 0.82 HPD (0.42) GRM4ADORA3ADORA2AADORA1HPD
SCHEMBL9534299 0.82 ADORA3 (0.49) GRM4ADORA3ADORA2AADORA1FEN1
SCHEMBL4547801 0.78 KDM5A (0.41) ADORA3ADORA2AADORA1HPDFEN1
SCHEMBL22017691 0.76 GRM4 (0.44) GRM4ADORA3ADORA2AADORA1HPD
SCHEMBL22016243 0.72 GRM4 (0.42) GRM4ADORA3ADORA2AADORA1FEN1
SCHEMBL31189206 0.72 HPD (0.40) HPDFEN1ERCC1ERCC4MAOA
SCHEMBL22745940 0.72 HPD (0.40) HPDFEN1ERCC1ERCC4MAOA
SCHEMBL280029 0.71 TOP2A (0.50) ADORA3ADORA2ATOP2ARAB9ASMN1; SMN2

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-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 — — US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 — — US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 — — 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 GRM4 3533/4885ADORA3 1752/4885ADORA2A 1362/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 GRM4 3533/4885ADORA3 1752/4885ADORA2A 1362/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B GRM4 2063/4885ADORA3 1388/4885ADORA2A 2215/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 GRM4 3533/4885ADORA3 1752/4885ADORA2A 1362/4885

“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.