SCHEMBL22017082

SCHEMBL22017082

CSc1cc2cnccc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.59
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
CSNK2A1 P68400 2/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
CHEK2 O96017 1/20 0.43
CDK1 P06493 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
MAPK1 P28482 1/20 0.43
AKT1 P31749 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL7380955 0.78 DAO (0.65) DAOPDE3BPDE3ADYRK1APARP1
SCHEMBL24312485 0.76 BRD4 (0.59) DAOFGFR1MAPK1KDRMAPT
SCHEMBL24312093 0.75 DAO (0.61) DAOPDE3BPDE3AMAPK1PARP1
SCHEMBL21957317 0.75 DAO (0.65) DAOPDE3BPDE3ACSNK2A1PIM1
SCHEMBL3360519 0.75 DAO (1.00) DAOPDE3BPDE3APARP1HRH4
SCHEMBL31475468 0.75 DAO (0.65) DAOPDE3BPDE3ACSNK2A1PIM1
SCHEMBL22016192 0.74 DAO (0.59) DAOPDE3BPDE3AMAPK1GSK3B
SCHEMBL4310842 0.74 DAO (0.59) DAOPDE3BPDE3APARP1HRH4
SCHEMBL3359700 0.74 DAO (0.59) DAOPDE3BPDE3ACSNK2A1PRKCZ
SCHEMBL28124188 0.74 DAO (0.59) DAOPDE3BPDE3ACSNK2A1PARP1

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 4307/4885PDE3B 87/4885PDE3A 266/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 DAO 4307/4885PDE3B 87/4885PDE3A 266/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 DAO 4307/4885PDE3B 87/4885PDE3A 266/4885

“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.