SCHEMBL21957166

SCHEMBL21957166

CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3nc(C)ccc3OC)c3ncccc23)C(=O)O)c(F)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.35
MET P08581 2/20 0.35
ITGB2 P05107 3/20 0.35
ICAM1 P05362 3/20 0.35
ITGAL P20701 3/20 0.35
ITGB1 P05556 4/20 0.33
ITGA4 P13612 1/20 0.33
CTSA P10619 4/20 0.33
ITGB3 P05106 3/20 0.33
ITGAV P06756 3/20 0.33
ITGA5 P08648 3/20 0.33
ITGB5 P18084 3/20 0.33
ITGA2B P08514 1/20 0.33
ADORA2A P29274 3/20 0.32
DGAT2 Q96PD7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL21957169 1.00 KDR (0.35) KDRMETITGB2ICAM1ITGAL
SCHEMBL22017214 0.92 ITGB1 (0.35) KDRMETITGB2ICAM1ITGAL
SCHEMBL22016649 0.91 ITGB1 (0.38) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22016320 0.91 ITGB1 (0.38) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL21957200 0.88 KDR (0.36) KDRMETITGB2ICAM1ITGAL
SCHEMBL21957197 0.88 KDR (0.36) KDRMETITGB2ICAM1ITGAL
SCHEMBL22016395 0.88 ITGB2 (0.35) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22017016 0.87 ITGB1 (0.36) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22017536 0.86 ITGB1 (0.34) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL22017003 0.86 ITGB2 (0.38) ITGB2ICAM1ITGALITGB1ITGA4

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
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
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
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 KDR 4582/4885MET 4742/4885ITGB2 2856/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDR 4582/4885MET 4742/4885ITGB2 2856/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDR 4582/4885MET 4742/4885ITGB2 2856/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KDR 1365/4885MET 4063/4885ITGB2 7/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDR 4582/4885MET 4742/4885ITGB2 2856/4885
US-20250032473-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDR 4582/4885MET 4742/4885ITGB2 2856/4885

“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.