SCHEMBL22016169

SCHEMBL22016169

CCc1c(C)c2cc(C(F)(F)F)ccc2n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
RORA P35398 8/20 0.46
RORC P51449 8/20 0.46
RORB Q92753 8/20 0.46
PGR P06401 7/20 0.44
NR1H3 Q13133 1/20 0.44
KIF11 P52732 1/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
NR1H2 P55055 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL22031980 0.84 PGR (0.49) CYP2C9RORARORCRORBPGR
SCHEMBL22035261 0.81 ATM (0.41) SRCKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL21979038 0.80 PGR (0.46) CYP2C9RORARORCRORBPGR
SCHEMBL30901347 0.80 PGR (0.46) CYP2C9RORARORCRORBPGR
SCHEMBL18015724 0.80 KIF11 (0.50) CYP2C9RORARORCRORBPGR
SCHEMBL22017354 0.78 PGR (0.44) CYP2C9RORARORCRORBPGR
SCHEMBL31223920 0.77 PGR (0.46) CYP2C9RORARORCRORBPGR
SCHEMBL16729412 0.76 KIF11 (0.51) CYP2C9PGRNR1H3KIF11SRC
SCHEMBL27857916 0.74 PGR (0.74) CYP2C9RORARORCRORBPGR
SCHEMBL13383054 0.73 KIF11 (0.65) CYP2C9RORARORCRORBPGR

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 3 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-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 (3 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 CYP2C9 823/4885RORA 488/4885RORC 150/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CYP2C9 823/4885RORA 488/4885RORC 150/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 CYP2C9 823/4885RORA 488/4885RORC 150/4885

“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.