SCHEMBL22016606

SCHEMBL22016606

Cc1nc(C)c(-c2ccc(C[C@H](NC(=O)c3c(F)cc(N4CCOC[C@@H]4C(F)(F)F)cc3F)C(=O)O)c3cccnc23)nc1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.36
ITGB1 P05556 9/20 0.36
ITGAV P06756 9/20 0.36
ITGA5 P08648 9/20 0.36
ITGB5 P18084 9/20 0.36
ITGA2B P08514 6/20 0.35
ATR Q13535 1/20 0.33
ROCK2 O75116 1/20 0.32
ITGA4 P13612 2/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
PIK3C3 Q8NEB9 2/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
RORC P51449 1/20 0.32
MAPK1 P28482 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL21956962 0.92 ITGB1 (0.34) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL21956966 0.92 ITGB1 (0.34) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL21956957 0.92 ITGB1 (0.34) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL22017026 0.91 ATR (0.34) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL22016634 0.91 ATR (0.34) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL22016631 0.91 ATR (0.34) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL22016705 0.90 ITGB3 (0.36) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL22016392 0.90 ITGB1 (0.35) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL22016706 0.90 ITGB1 (0.35) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL22016952 0.90 ATR (0.34) ITGB3ITGB1ITGAVITGA5ITGB5

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 ITGB3 3939/4885ITGB1 3359/4885ITGAV 3124/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ITGB3 3939/4885ITGB1 3359/4885ITGAV 3124/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B ITGB3 13/4885ITGB1 2/4885ITGAV 12/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ITGB3 3939/4885ITGB1 3359/4885ITGAV 3124/4885

“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.