SCHEMBL22017503

SCHEMBL22017503

CC(C)(C)n1c(=O)[nH]c2ccncc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.60
PARP1 P09874 2/20 0.44
DAO P14920 1/20 0.44
ACHE P22303 4/20 0.41
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
CHEK1 O14757 2/20 0.40
DDR1 Q08345 2/20 0.38
KIF11 P52732 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
ADORA2B P29275 1/20 0.36
HTR6 P50406 1/20 0.35

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
SCHEMBL22017505 0.88 ADORA3 (0.50) FEN1PARP1DAOADORA3ADORA2A
SCHEMBL27438347 0.82 DAO (0.60) FEN1PARP1DAOACHEADORA3
SCHEMBL16657358 0.79 DAO (0.47) FEN1PARP1DAOADORA3ADORA2A
SCHEMBL12506543 0.79 FEN1 (0.66) FEN1PARP1DAOACHEADORA3
SCHEMBL7650487 0.77 ADORA3 (0.61) FEN1ADORA3ADORA2AADORA1LMNA
SCHEMBL29407350 0.77 ADORA3 (0.61) FEN1ADORA3ADORA2AADORA1LMNA
SCHEMBL18687482 0.76 FEN1 (1.00) FEN1PARP1DAOACHE
SCHEMBL15624105 0.75 CYP1A2 (0.62) FEN1PARP1DAOACHEADORA3
SCHEMBL11870266 0.75 FEN1 (0.60) FEN1PARP1DAOACHEADORA3
SCHEMBL22016540 0.74 ADORA3 (0.50) FEN1PARP1DAOADORA3ADORA2A

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 FEN1 4719/4885PARP1 1100/4885DAO 4307/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 FEN1 4719/4885PARP1 1100/4885DAO 4307/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B FEN1 4828/4885PARP1 1472/4885DAO 4523/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 FEN1 4719/4885PARP1 1100/4885DAO 4307/4885

“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.