SCHEMBL22016197

SCHEMBL22016197

CCCCCCCC(CCCC)n1c(=O)[nH]c2cnccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
KDM5A P29375 5/20 0.39
FEN1 P39748 1/20 0.36
PARP1 P09874 1/20 0.35
DAO P14920 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRA1B P35368 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PDE9A O76083 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CMA1 P23946 1/20 0.33

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
SCHEMBL24312482 0.83 ADORA3 (0.45) ADORA3ADORA2AADORA1KDM5AFEN1
SCHEMBL11867978 0.76 PARP1 (0.47) ADORA3ADORA2AADORA1KDM5AFEN1
SCHEMBL22016215 0.76 CMA1 (0.38) ADORA3ADORA2AADORA1KDM5ASMN1; SMN2
SCHEMBL24437016 0.71 CMA1 (0.38) ADORA3ADORA2AADORA1KDM5ACMA1
SCHEMBL24747270 0.68 POLB (0.56) DAOKDM4EALDH1A1GAAHPGD
SCHEMBL22016540 0.67 ADORA3 (0.50) ADORA3ADORA2AADORA1KDM5AFEN1
SCHEMBL23921792 0.66 GPR84 (0.39) GPR84
SCHEMBL22017505 0.66 ADORA3 (0.50) ADORA3ADORA2AADORA1KDM5AFEN1
SCHEMBL24999045 0.66 GPR84 (0.39) GPR84
SCHEMBL8616729 0.64 CYP1A2 (0.37) ADORA3ADORA2AADORA1FEN1KDM4E

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 ADORA3 1752/4885ADORA2A 1362/4885ADORA1 1182/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ADORA3 1752/4885ADORA2A 1362/4885ADORA1 1182/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ADORA3 1752/4885ADORA2A 1362/4885ADORA1 1182/4885

“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.