Sugi Predict

Sugi Predict / Compounds / SCHEMBL5865925

SCHEMBL5865925

SCHEMBL5865925

Cn1c(=O)cc(C(F)(F)F)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.61
▸ NQO2 P16083 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.56
▸ KIF11 P52732 1/20 0.51
▸ AR P10275 11/20 0.49
▸ GPR3 P46089 1/20 0.47
▸ KCNA3 P22001 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ PGR P06401 5/20 0.46
▸ HPGD P15428 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL30901341 1.00 KDM4E (0.61) KDM4ENQO2HSD17B10KIF11AR
SCHEMBL27579314 0.80 BACE1 (0.39) KDM4ENQO2HSD17B10KIF11AR
SCHEMBL21957297 0.79 AR (0.50) ARATMPGR
SCHEMBL27518959 0.79 ALDH1A1 (0.42) KDM4ENQO2HSD17B10KIF11AR
SCHEMBL31331699 0.78 AR (0.53) KDM4EHSD17B10ARATMPGR
SCHEMBL6077653 0.78 AR (0.52) KDM4EHSD17B10ARATMPGR
SCHEMBL21978549 0.78 AR (0.49) ARPGR
SCHEMBL5865904 0.77 PARG (0.47) ARPGRMAPT
SCHEMBL6023005 0.77 PIK3CG (0.57) KIF11ARPGR
SCHEMBL5865893 0.77 PARG (0.50) ARPGR

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4541422-A2 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS Gilead Sciences, Inc. (US) 2025-04-23 — — EP disclosed
US-20250032473-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2025-01-30 — — US disclosed
EP-3873884-B1 3-(QUINOLIN-8-YL)-1,4-DIHYDROPYRIDO[3,4-D]PYRIMIDIN-2,4-DIONE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2024-12-04 — — EP disclosed
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 — — EP disclosed
US-12053462-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2024-08-06 — — US disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 — — CN disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 — — US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 — — US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 — — US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 — — US disclosed
US-7064207-B2 6-sulfonamido-quinolin-2-one and 6-sulfonamido-2-oxo-chromene derivatives, useful for treating alopecia, acne and oily skin WARNER LAMBERT COMPANY LLC (US) 2006-06-20 — — US disclosed
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 — — US disclosed
EP-1608643-A1 6-SULFONAMIDE QUINOLINE AND CHROMENE DERIVATIVE AS ANDROGEN RECEPTOR ANTAGONISTS Warner-Lambert Company LLC (US) 2005-12-28 — — EP disclosed
EP-1587804-A1 ANDROGEN RECEPTOR ANTAGONISTS Warner-Lambert Company LLC (US) 2005-10-26 — — EP disclosed
US-20050085467-A1 Androgen receptor antagonists DU DANIEL Y (US) 2005-04-21 — — US disclosed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 — — US disclosed
WO-2004083204-A1 6-SULFONAMIDE QUINOLINE AND CHROMENE DERIVATIVE AS ANDROGEN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-09-30 — — WO disclosed
WO-2004065379-A1 ANDROGEN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 — — 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 (7 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-20050085467-A1 Androgen receptor antagonists AR, NR5A1, ESRRB KDM4E 2570/4885NQO2 405/4885HSD17B10 248/4885
US-12053462-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDM4E 2522/4885NQO2 9/4885HSD17B10 1037/4885
US-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG KDM4E 1224/4885NQO2 79/4885HSD17B10 206/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885NQO2 9/4885HSD17B10 1037/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885NQO2 9/4885HSD17B10 1037/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM4E 1442/4885NQO2 3242/4885HSD17B10 3214/4885
US-20250032473-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885NQO2 9/4885HSD17B10 1037/4885

“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.