SCHEMBL22016215

SCHEMBL22016215

CCCCCCCC(CCCC)n1c(=O)c2ccncc2n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 10/20 0.38
KDM5A P29375 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
AAK1 Q2M2I8 3/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL24437016 0.95 CMA1 (0.38) CMA1KDM5AADORA3ADORA2AADORA1
SCHEMBL22016873 0.80 AAK1 (0.39) CMA1KDM5AADORA3ADORA2AADORA1
SCHEMBL22016877 0.78 ADORA3 (0.41) CMA1KDM5AADORA3ADORA2AADORA1
SCHEMBL22016876 0.77 AAK1 (0.40) CMA1KDM5AADORA3ADORA2AADORA1
SCHEMBL22016197 0.76 ADORA3 (0.42) CMA1KDM5AADORA3ADORA2AADORA1
SCHEMBL22017691 0.67 GRM4 (0.44) CMA1ADORA3ADORA2AADORA1
SCHEMBL22016239 0.66 ADORA3 (0.43) CMA1KDM5AADORA3ADORA2AADORA1
SCHEMBL24984421 0.65 ASAH1 (0.35) CNR1CNR2
SCHEMBL22035451 0.65 ADORA3 (0.40) CMA1KDM5AADORA3ADORA2AADORA1
SCHEMBL26597430 0.65 TDP1 (0.45)

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 CMA1 146/4885KDM5A 2386/4885ADORA3 1752/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CMA1 146/4885KDM5A 2386/4885ADORA3 1752/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 CMA1 146/4885KDM5A 2386/4885ADORA3 1752/4885

“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.