SCHEMBL22016540

SCHEMBL22016540

CCC(C)(C)n1c(=O)[nH]c2cnccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.50
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
KDM5A P29375 7/20 0.44
FEN1 P39748 1/20 0.41
PARP1 P09874 1/20 0.40
DDR1 Q08345 3/20 0.40
CYP1A2 P05177 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CHUK O15111 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
IKBKB O14920 1/20 0.37
AURKA O14965 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PIM1 P11309 1/20 0.37
TOP1 P11387 1/20 0.37
GABRA1 P14867 1/20 0.37
IDO1 P14902 1/20 0.37

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 0.85 ADORA3 (0.50) ADORA3ADORA2AADORA1KDM5AFEN1
SCHEMBL3310952 0.75 KDM4E (0.43) ADORA3ADORA2AADORA1KDM5AFEN1
SCHEMBL12505228 0.74 ADORA3 (0.59) ADORA3ADORA2AADORA1KDM5AFEN1
SCHEMBL22017503 0.74 FEN1 (0.60) ADORA3ADORA2AADORA1FEN1PARP1
SCHEMBL24312482 0.73 ADORA3 (0.45) ADORA3ADORA2AADORA1KDM5AFEN1
SCHEMBL13361513 0.73 KDM5A (0.51) ADORA3ADORA2AADORA1KDM5ACYP1A2
SCHEMBL2696822 0.72 KDM4E (0.45) ADORA3ADORA2AADORA1KDM5AFEN1
SCHEMBL28763780 0.71 FEN1 (0.76) ADORA3ADORA2AADORA1KDM5AFEN1
SCHEMBL16657358 0.71 DAO (0.47) ADORA3ADORA2AADORA1KDM5AFEN1
SCHEMBL27788914 0.71 ADRA1B (0.39) ADORA3ADORA2AADORA1KDM5AFEN1

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.