SCHEMBL22016504

SCHEMBL22016504

CC(C)n1c(=O)c2cc(N(C)C)ncc2n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 12/20 0.40
ATR Q13535 4/20 0.39
ADORA2B P29275 1/20 0.38
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 1/20 0.36
MAPK14 Q16539 1/20 0.36
TRPC5 Q9UL62 1/20 0.35
HPD P32754 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
SCHEMBL22016536 0.77 ATM (0.35) ATMATRPIK3CA
SCHEMBL22017360 0.74 KDM4E (0.43) ATMNPC1GAARAB9AMAPK14
SCHEMBL24312294 0.71 ADORA2B (0.40) ATMADORA2BNPC1RXFP1
SCHEMBL22016877 0.70 ADORA3 (0.41) ADORA2BHPD
SCHEMBL24390566 0.69 ATM (0.41) ATMATRPIK3CAMTORTRPC5
SCHEMBL24851463 0.67 MAPK14 (0.41) ATMATRADORA2BPIK3CAMTOR
SCHEMBL24851745 0.67 HSD17B10 (0.42) ATMATRADORA2BMAPK14HPD
SCHEMBL22017691 0.67 GRM4 (0.44) ATMATRADORA2BHPD
SCHEMBL16352662 0.65 ERCC1 (0.61) ATMPOLBGAA
SCHEMBL22016496 0.63 PDE4B (0.41) ATMATRADORA2BGAAPIK3CA

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 ATM 2237/4885ATR 4499/4885ADORA2B 1152/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ATM 2237/4885ATR 4499/4885ADORA2B 1152/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ATM 2237/4885ATR 4499/4885ADORA2B 1152/4885

“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.