SCHEMBL22016496

SCHEMBL22016496

COc1cnc2c(=O)n(C(C)C)c(=O)n(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
ADORA2B P29275 1/20 0.38
ATM Q13315 2/20 0.37
ATR Q13535 1/20 0.37
BRD4 O60885 1/20 0.37
BRPF1 P55201 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TNF P01375 2/20 0.36
LITAF Q99732 2/20 0.36
GRM2 Q14416 1/20 0.35
MAPK14 Q16539 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
CRHR1 P34998 1/20 0.33
HPD P32754 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL22017690 0.70 GRM4 (0.45) ADORA2BATMBRD4BRPF1TDP1
SCHEMBL20754022 0.70 KCNH2 (0.41)
SCHEMBL21038063 0.66 CYP1A2 (0.41) PDE4BGRM2
SCHEMBL27252012 0.66 RELA (0.38)
SCHEMBL20753938 0.64 ALDH1A1 (0.43) KDM4EGAA
SCHEMBL24851745 0.64 HSD17B10 (0.42) ADORA2BATMATRBRD4TDP1
SCHEMBL19231302 0.64 KCNH2 (0.45)
SCHEMBL30162061 0.64 HSD17B10 (0.42) ADORA2BATMATRBRD4TDP1
SCHEMBL24851463 0.64 MAPK14 (0.41) ADORA2BATMATRBRD4MAPK14
SCHEMBL30162138 0.64 MAPK14 (0.41) ADORA2BATMATRBRD4MAPK14

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 PDE4B 225/4885ADORA2B 1152/4885ATM 2237/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 PDE4B 225/4885ADORA2B 1152/4885ATM 2237/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 PDE4B 225/4885ADORA2B 1152/4885ATM 2237/4885

“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.