SCHEMBL22016193

SCHEMBL22016193

CC(C)c1cc2ccncc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.59
PARP1 P09874 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM5A P29375 3/20 0.40
MAPT P10636 1/20 0.40
SNCA P37840 1/20 0.40
IDH1 O75874 5/20 0.39
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
BTK Q06187 1/20 0.38
GSK3B P49841 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TNKS O95271 1/20 0.37

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
SCHEMBL22016192 0.87 DAO (0.59) DAOPARP1HRH4MAPK1KDM5A
SCHEMBL15906825 0.78 DAO (0.65) DAOPARP1HRH4KDM5AMAPT
SCHEMBL828487 0.76 BRD4 (0.59) DAOIDH1
SCHEMBL3357467 0.76 DAO (0.49) DAOHRH4KDM5AMAPTSNCA
SCHEMBL29856283 0.76 DAO (0.49) DAOHRH4KDM5AMAPTSNCA
SCHEMBL12463827 0.75 DAO (0.61) DAOPARP1HRH4MAPK1KDM5A
SCHEMBL25320223 0.75 DAO (0.65) DAOPARP1HRH4KDM5AMAPT
SCHEMBL15272584 0.75 DAO (0.65) DAOPARP1HRH4MAPK1KDM5A
SCHEMBL3423734 0.75 DAO (1.00) DAOPARP1KDM5A
SCHEMBL24312102 0.75 DAO (0.65) DAOPARP1HRH4KDM5AMAPT

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-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-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 (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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 DAO 4439/4885PARP1 2731/4885HRH4 1825/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 DAO 4497/4885PARP1 2857/4885HRH4 1882/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 DAO 4307/4885PARP1 1100/4885HRH4 454/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 DAO 4307/4885PARP1 1100/4885HRH4 454/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B DAO 4523/4885PARP1 1472/4885HRH4 1082/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 DAO 4307/4885PARP1 1100/4885HRH4 454/4885

“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.