SCHEMBL22016873

SCHEMBL22016873

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.39
KDM5A P29375 1/20 0.38
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 3/20 0.38
ADORA1 P30542 2/20 0.38
CMA1 P23946 8/20 0.36
KAT2B Q92831 2/20 0.34
ROCK2 O75116 1/20 0.34
KCNH2 Q12809 1/20 0.33
DYRK1A Q13627 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
SCHEMBL22016876 0.89 AAK1 (0.40) AAK1KDM5AADORA3ADORA2AADORA1
SCHEMBL22016877 0.84 ADORA3 (0.41) AAK1KDM5AADORA3ADORA2AADORA1
SCHEMBL24437016 0.83 CMA1 (0.38) AAK1KDM5AADORA3ADORA2AADORA1
SCHEMBL22016215 0.80 CMA1 (0.38) AAK1KDM5AADORA3ADORA2AADORA1
SCHEMBL13819107 0.75 ADORA3 (0.53) AAK1KDM5AADORA3ADORA2AADORA1
SCHEMBL22017691 0.73 GRM4 (0.44) ADORA3ADORA2AADORA1CMA1KAT2B
SCHEMBL13322657 0.69 MAPK14 (0.40) ADORA3ADORA2AADORA1DYRK1A
SCHEMBL13322656 0.69 HPD (0.42) ADORA3ADORA2AADORA1DYRK1A
SCHEMBL22016239 0.69 ADORA3 (0.43) AAK1KDM5AADORA3ADORA2AADORA1
SCHEMBL22035451 0.68 ADORA3 (0.40) AAK1KDM5AADORA3ADORA2AADORA1

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 5 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-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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 (5 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 AAK1 2419/4885KDM5A 3004/4885ADORA3 2207/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 AAK1 2420/4885KDM5A 2534/4885ADORA3 1683/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AAK1 3444/4885KDM5A 2386/4885ADORA3 1752/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AAK1 3444/4885KDM5A 2386/4885ADORA3 1752/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 AAK1 3444/4885KDM5A 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.