SCHEMBL22016611

SCHEMBL22016611

Cn1c(=O)c(-c2ccc(C[C@H](NC(=O)c3c(F)cc(N4CCOC[C@H]4C(F)(F)F)cc3F)C(=O)O)c3cccnc23)cc2cnccc21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.32
MAPK1 P28482 1/20 0.31
ITGB3 P05106 4/20 0.31
ITGB1 P05556 4/20 0.31
ITGAV P06756 4/20 0.31
ITGA5 P08648 4/20 0.31
ITGB5 P18084 4/20 0.31
ATR Q13535 1/20 0.30
ITGA2B P08514 1/20 0.30
ROCK2 O75116 1/20 0.30
CHRM1 P11229 2/20 0.30
RAF1 P04049 2/20 0.30
BRAF P15056 2/20 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
SCHEMBL22016612 1.00 PIK3C3 (0.32) PIK3C3MAPK1ITGB3ITGB1ITGAV
SCHEMBL22016721 0.97 ITGB1 (0.33) PIK3C3ITGB3ITGB1ITGAVITGA5
SCHEMBL21957252 0.94 ITGB1 (0.33) PIK3C3MAPK1ITGB3ITGB1ITGAV
SCHEMBL31027343 0.94 ITGB1 (0.33) PIK3C3MAPK1ITGB3ITGB1ITGAV
SCHEMBL21957250 0.94 ITGB1 (0.33) PIK3C3MAPK1ITGB3ITGB1ITGAV
SCHEMBL21978822 0.94 ROCK2 (0.33) PIK3C3MAPK1ITGB1ROCK2
SCHEMBL21978829 0.94 ROCK2 (0.33) PIK3C3MAPK1ITGB1ROCK2
SCHEMBL21978831 0.94 ROCK2 (0.33) PIK3C3MAPK1ITGB1ROCK2
SCHEMBL22031442 0.90 CNR2 (0.33) PIK3C3
SCHEMBL22016420 0.90 ITGB3 (0.33) 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 PIK3C3 2144/4885MAPK1 521/4885ITGB3 3939/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 PIK3C3 2144/4885MAPK1 521/4885ITGB3 3939/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B PIK3C3 1642/4885MAPK1 433/4885ITGB3 13/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 PIK3C3 2144/4885MAPK1 521/4885ITGB3 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.