SCHEMBL22016876

SCHEMBL22016876

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.40
KDM5A P29375 1/20 0.39
CMA1 P23946 4/20 0.39
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TNF P01375 1/20 0.35
LITAF Q99732 1/20 0.35
KAT2B Q92831 2/20 0.35
ROCK2 O75116 1/20 0.35
KCNH2 Q12809 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK4 P11802 2/20 0.34
CDK6 Q00534 1/20 0.34

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
SCHEMBL22016873 0.89 AAK1 (0.39) AAK1KDM5ACMA1ADORA3ADORA2A
SCHEMBL22016877 0.87 ADORA3 (0.41) AAK1KDM5ACMA1ADORA3ADORA2A
SCHEMBL24437016 0.77 CMA1 (0.38) AAK1KDM5ACMA1ADORA3ADORA2A
SCHEMBL22016215 0.77 CMA1 (0.38) AAK1KDM5ACMA1ADORA3ADORA2A
SCHEMBL13819107 0.77 ADORA3 (0.53) AAK1KDM5AADORA3ADORA2AADORA1
SCHEMBL22017691 0.75 GRM4 (0.44) CMA1ADORA3ADORA2AADORA1KAT2B
SCHEMBL13322657 0.71 MAPK14 (0.40) ADORA3ADORA2AADORA1DYRK1A
SCHEMBL13322656 0.71 HPD (0.42) ADORA3ADORA2AADORA1DYRK1A
SCHEMBL22016239 0.71 ADORA3 (0.43) AAK1KDM5ACMA1ADORA3ADORA2A
SCHEMBL12383079 0.71 MAOA (0.42) ALDH1A1CDK4CDK6

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-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AAK1 3444/4885KDM5A 2386/4885CMA1 146/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 AAK1 2419/4885KDM5A 3004/4885CMA1 1134/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 AAK1 3444/4885KDM5A 2386/4885CMA1 146/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 AAK1 2419/4885KDM5A 3004/4885CMA1 1134/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 AAK1 3444/4885KDM5A 2386/4885CMA1 146/4885

“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.