SCHEMBL22017498

SCHEMBL22017498

CSc1cc2ccccc2n(C)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.59
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
BRD4 O60885 1/20 0.47
BRPF1 P55201 1/20 0.47
KAT2B Q92831 1/20 0.47
BRD9 Q9H8M2 1/20 0.47
MCL1 Q07820 1/20 0.46
KMT2A Q03164 4/20 0.44
AHR P35869 3/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
CASP1 P29466 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SAE1 Q9UBE0 1/20 0.41

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
SCHEMBL24437253 0.77 FGFR1 (0.40) DAOCA12CA9BRPF1CASP1
SCHEMBL31426215 0.76 DAO (0.65) DAOCA12CA9BRD4BRPF1
SCHEMBL715895 0.76 DAO (0.65) DAOCA12CA9BRD4BRPF1
SCHEMBL31039545 0.74 DAO (0.62) DAOCA12CA9BRD4BRPF1
SCHEMBL29891722 0.74 DAO (0.62) DAOCA12CA9BRD4BRPF1
SCHEMBL8538250 0.74 DAO (0.62) DAOCA12CA9BRD4BRPF1
SCHEMBL1421868 0.74 DAO (0.62) DAOCA12CA9BRD4BRPF1
SCHEMBL21955107 0.74 DAO (0.62) DAOCA12CA9BRD4BRPF1
SCHEMBL30349848 0.74 DAO (0.62) DAOCA12CA9BRD4BRPF1
SCHEMBL28165616 0.74 DAO (0.62) DAOCA12CA9BRD4BRPF1

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 DAO 4307/4885CA12 3651/4885CA9 3398/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 DAO 4307/4885CA12 3651/4885CA9 3398/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 DAO 4307/4885CA12 3651/4885CA9 3398/4885

“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.