SCHEMBL22016239

SCHEMBL22016239

Cn1c(=O)n(C(C)(C)C)c(=O)c2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.43
KDM5A P29375 1/20 0.40
AAK1 Q2M2I8 3/20 0.39
HPD P32754 2/20 0.37
NFATC1 O95644 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
GABRA5 P31644 1/20 0.33
GRM4 Q14833 1/20 0.33
PGR P06401 1/20 0.33
ROCK2 O75116 2/20 0.33
CMA1 P23946 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
BCL6 P41182 1/20 0.32

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
SCHEMBL22016240 0.88 GRM4 (0.43) ADORA3ADORA2AADORA1KDM5AAAK1
SCHEMBL4547801 0.87 KDM5A (0.41) ADORA3ADORA2AADORA1KDM5AAAK1
SCHEMBL12049021 0.82 HPD (0.42) ADORA3ADORA2AADORA1KDM5AAAK1
SCHEMBL13819107 0.82 ADORA3 (0.53) ADORA3ADORA2AADORA1KDM5AAAK1
SCHEMBL4547797 0.78 ADORA3 (0.36) ADORA3ADORA2AADORA1KDM5AHPD
SCHEMBL22016877 0.76 ADORA3 (0.41) ADORA3ADORA2AADORA1KDM5AAAK1
SCHEMBL22035451 0.74 ADORA3 (0.40) ADORA3ADORA2AADORA1KDM5AAAK1
SCHEMBL24312321 0.72 HPD (0.33) HPDGABRA5
SCHEMBL22745870 0.72 EGLN1 (0.44) HPDERCC1FEN1ERCC4PGR
SCHEMBL17243302 0.72 ATM (0.49) ADORA2AHPDERCC1FEN1ERCC4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578069-B2 Compounds for inhibition of α4 β7 integrin GILEAD SCIENCES, INC. (US) 2023-02-14 US disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2021-02-25 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 (6 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-11578069-B2 Compounds for inhibition of α4 β7 integrin ITGB7, ITGB4, ITGA4 ADORA3 1747/4885ADORA2A 2691/4885ADORA1 1511/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ADORA3 1752/4885ADORA2A 1362/4885ADORA1 1182/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ADORA3 1752/4885ADORA2A 1362/4885ADORA1 1182/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B ADORA3 1388/4885ADORA2A 2215/4885ADORA1 1200/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ADORA3 1752/4885ADORA2A 1362/4885ADORA1 1182/4885
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ADORA3 2108/4885ADORA2A 2896/4885ADORA1 1612/4885

“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.