SCHEMBL22017026

SCHEMBL22017026

Cc1nc(-c2ccc(C[C@H](NC(=O)c3c(F)cc(N4CCOC[C@@H]4C(F)(F)F)cc3F)C(=O)O)c3cccnc23)c(=O)n(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.34
ITGB1 P05556 8/20 0.33
ITGB3 P05106 6/20 0.33
ITGAV P06756 6/20 0.33
ITGA5 P08648 6/20 0.33
ITGB5 P18084 6/20 0.33
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
ITGA2B P08514 3/20 0.32
RAF1 P04049 4/20 0.32
BRAF P15056 4/20 0.32
PIK3C3 Q8NEB9 3/20 0.31
PIK3CA P42336 1/20 0.30
CNR2 P34972 1/20 0.30
ROCK2 O75116 1/20 0.30
APAF1 O14727 1/20 0.30
MITF O75030 1/20 0.30
CASP7 P55210 1/20 0.30
CASP9 P55211 1/20 0.30
CASP6 P55212 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
SCHEMBL22016634 1.00 ATR (0.34) ATRITGB1ITGB3ITGAVITGA5
SCHEMBL22016631 1.00 ATR (0.34) ATRITGB1ITGB3ITGAVITGA5
SCHEMBL22017546 0.97 ITGB1 (0.34) ATRITGB1ITGB3ITGAVITGA5
SCHEMBL22016688 0.96 RORC (0.34) ATRITGB1ITGB3ITGAVITGA5
SCHEMBL22035251 0.93 ITGA4 (0.35) ITGB1ITGA4ITGB7PIK3C3PIK3CA
SCHEMBL22016606 0.91 ITGB3 (0.36) ATRITGB1ITGB3ITGAVITGA5
SCHEMBL22016367 0.91 TACR2 (0.33) ATRITGB1ITGB3ITGAVITGA5
SCHEMBL22016948 0.90 ITGB1 (0.36) ITGB1ITGB3ITGAVITGA5ITGB5
SCHEMBL22016703 0.90 ITGB1 (0.36) ITGB1ITGB3ITGAVITGA5ITGB5
SCHEMBL22016288 0.89 ITGB1 (0.34) 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 ATR 4499/4885ITGB1 3359/4885ITGB3 3939/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ATR 4499/4885ITGB1 3359/4885ITGB3 3939/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B ATR 3978/4885ITGB1 2/4885ITGB3 13/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ATR 4499/4885ITGB1 3359/4885ITGB3 3939/4885

“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.