SCHEMBL21956901

SCHEMBL21956901

Cc1ccc(Br)c2nc(C(F)(F)F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.38
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
PDE3A Q14432 2/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
NQO2 P16083 1/20 0.32
NT5E P21589 1/20 0.32

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
SCHEMBL13853247 0.77 PDE4B (0.36) PDE4BPDE4APDE4CPDE4DPTGS1
SCHEMBL21957011 0.77 ENPP3 (0.35) PDE4BENPP3ENPP1NT5E
SCHEMBL12464179 0.77 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL25520953 0.74 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL17119432 0.74 KDM4E (0.41) PTGS1PTGS2NT5E
SCHEMBL22211759 0.74 HSP90AA1 (0.35) PTGS1PTGS2NT5E
SCHEMBL31644809 0.73 OPRK1 (0.39) ENPP3ENPP1OPRK1KMT2ACCR1
SCHEMBL7257616 0.72 KMT2A (0.42) PDE4BOPRK1KMT2APDE4APDE4C
SCHEMBL683182 0.72 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL755969 0.71 HSP90AA1 (0.36) PDE4BPTGS1PTGS2

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 12 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-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
EP-3873884-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. (US) 2021-09-08 EP 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

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 PDE4B 225/4885ENPP3 2954/4885ENPP1 2027/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 PDE4B 225/4885ENPP3 2954/4885ENPP1 2027/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 PDE4B 225/4885ENPP3 2954/4885ENPP1 2027/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B PDE4B 137/4885ENPP3 1940/4885ENPP1 1397/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 PDE4B 225/4885ENPP3 2954/4885ENPP1 2027/4885
US-20250032473-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 PDE4B 225/4885ENPP3 2954/4885ENPP1 2027/4885

“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.