SCHEMBL22016367

SCHEMBL22016367

Cn1c(=O)c(-c2ccc(C[C@H](NC(=O)c3c(F)cc(N4CCOC[C@@H]4C(F)(F)F)cc3F)C(=O)O)c3cccnc23)nc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.33
TACR3 P29371 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
ITGB1 P05556 6/20 0.32
ITGB3 P05106 5/20 0.32
ITGAV P06756 5/20 0.32
ITGA5 P08648 5/20 0.32
ITGB5 P18084 5/20 0.32
ATR Q13535 1/20 0.32
ITGA2B P08514 2/20 0.32
MAPK1 P28482 1/20 0.31
ROCK2 O75116 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
ITGA4 P13612 3/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL22016631 0.91 ATR (0.34) ITGB1ITGB3ITGAVITGA5ITGB5
SCHEMBL22017026 0.91 ATR (0.34) ITGB1ITGB3ITGAVITGA5ITGB5
SCHEMBL22016634 0.91 ATR (0.34) ITGB1ITGB3ITGAVITGA5ITGB5
SCHEMBL21957252 0.90 ITGB1 (0.33) ITGB1ITGB3ITGAVITGA5ITGB5
SCHEMBL31027343 0.90 ITGB1 (0.33) ITGB1ITGB3ITGAVITGA5ITGB5
SCHEMBL21957250 0.90 ITGB1 (0.33) ITGB1ITGB3ITGAVITGA5ITGB5
SCHEMBL22017546 0.88 ITGB1 (0.34) ITGB1ITGB3ITGAVITGA5ITGB5
SCHEMBL22016601 0.88 CNR2 (0.33) ITGB1ITGB3ITGAVITGA5ITGB5
SCHEMBL22016379 0.88 CNR2 (0.33) ITGB1ITGB3ITGAVITGA5ITGB5
SCHEMBL22016612 0.87 PIK3C3 (0.32) ITGB1ITGB3ITGAVITGA5ITGB5

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 TACR2 2118/4885TACR3 3152/4885TRPV4 3568/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 TACR2 2118/4885TACR3 3152/4885TRPV4 3568/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B TACR2 1587/4885TACR3 2281/4885TRPV4 995/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 TACR2 2118/4885TACR3 3152/4885TRPV4 3568/4885

“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.