SCHEMBL21957305

SCHEMBL21957305

CN(C)c1ccc2c(c1)c(C(F)(F)F)cc(=O)n2C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.54
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 2/20 0.52
THRB P10828 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PGR P06401 7/20 0.45
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL1772049 0.88 KDM4E (0.64) ARHPGDKDM4EALDH1A1HSD17B10
SCHEMBL1771589 0.84 AR (0.54) AR
SCHEMBL21957297 0.80 AR (0.50) ARPGRNR3C1NR3C2
SCHEMBL21978549 0.78 AR (0.49) ARPGRNR3C1NR3C2
SCHEMBL6077653 0.78 AR (0.52) ARHPGDKDM4EALDH1A1HSD17B10
SCHEMBL2268296 0.78 ALDH1A1 (0.77) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL1771174 0.77 AR (0.48) ARPGR
SCHEMBL30901341 0.76 KDM4E (0.61) ARHPGDKDM4EHSD17B10MAPT
SCHEMBL5865925 0.76 KDM4E (0.61) ARHPGDKDM4EHSD17B10MAPT
SCHEMBL6022392 0.75 POLB (0.49) KDM4EPGRNR3C1

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 15 patents. 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
CN-119462635-A Quinoline derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2025-02-18 CN 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
CN-112969687-B Quinoline derivatives as a4 b 7 integrin inhibitors 吉利德科学公司 2024-08-23 CN disclosed
US-12053462-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2024-08-06 US 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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 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-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
CN-112969687-A Quinoline derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2021-06-15 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-12053462-B2 Quinoline derivatives CFTR, NQO1, IRF3 AR 3803/4885HPGD 585/4885KDM4E 2522/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AR 3803/4885HPGD 585/4885KDM4E 2522/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AR 3803/4885HPGD 585/4885KDM4E 2522/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B AR 3639/4885HPGD 3133/4885KDM4E 1390/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 AR 3803/4885HPGD 585/4885KDM4E 2522/4885
US-20250032473-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AR 3803/4885HPGD 585/4885KDM4E 2522/4885

“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.