SCHEMBL22016868

SCHEMBL22016868

CC(C)(C)c1cc2ncccc2[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.64
DAO P14920 1/20 0.59
PARP1 P09874 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
KDM4E B2RXH2 5/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE2A O00408 2/20 0.40
PDE6D O43924 2/20 0.40
PDE8A O60658 2/20 0.40
PDE5A O76074 2/20 0.40
PDE9A O76083 2/20 0.40
PDE8B O95263 2/20 0.40
PDE6A P16499 2/20 0.40
PDE6G P18545 2/20 0.40
PDE4A P27815 2/20 0.40
PDE6B P35913 2/20 0.40
PDE6C P51160 2/20 0.40

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
SCHEMBL29456567 0.84 DAO (0.59) ATAD2DAOPARP1HRH4KDM4E
SCHEMBL20156402 0.80 ATAD2 (0.51) ATAD2DAOPARP1HRH4KDM4E
SCHEMBL30663285 0.78 ATAD2 (1.00) ATAD2DAOPARP1HRH4KDM4E
SCHEMBL4140657 0.76 ATAD2 (0.53) ATAD2DAOHRH4KDM4EMAPT
SCHEMBL24390514 0.75 ATAD2 (0.66) ATAD2DAOPARP1HRH4KDM4E
SCHEMBL3364094 0.75 DAO (1.00) ATAD2DAOPARP1HRH4PDE2A
SCHEMBL24970980 0.75 DAO (0.65) ATAD2DAOPARP1HRH4KDM4E
SCHEMBL31143069 0.75 DAO (0.65) ATAD2DAOPARP1HRH4KDM4E
SCHEMBL24312059 0.74 ATAD2 (0.64) ATAD2DAOPARP1HRH4KDM4E
SCHEMBL21551043 0.74 ATAD2 (0.64) ATAD2DAOPARP1HRH4KDM4E

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 ATAD2 1012/4885DAO 4307/4885PARP1 1100/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ATAD2 1012/4885DAO 4307/4885PARP1 1100/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ATAD2 1012/4885DAO 4307/4885PARP1 1100/4885

“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.