SCHEMBL22016192

SCHEMBL22016192

CC(C)c1cc2cnccc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.59
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
PARP1 P09874 3/20 0.41
IDH1 O75874 8/20 0.41
HRH4 Q9H3N8 1/20 0.41
LYN P07948 1/20 0.41
SRC P12931 1/20 0.41
BTK Q06187 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
SNCA P37840 1/20 0.40
GSK3B P49841 1/20 0.38
KDM5A P29375 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
SCHEMBL22016193 0.87 DAO (0.59) DAOPDE3BPDE3APARP1IDH1
SCHEMBL7380955 0.78 DAO (0.65) DAOPDE3BPDE3APARP1HRH4
SCHEMBL828487 0.76 BRD4 (0.59) DAOIDH1
SCHEMBL14327807 0.76 DAO (0.49) DAOPDE3BPDE3AHRH4MAPT
SCHEMBL24312093 0.75 DAO (0.61) DAOPDE3BPDE3APARP1HRH4
SCHEMBL21957317 0.75 DAO (0.65) DAOPDE3BPDE3APARP1HRH4
SCHEMBL3360519 0.75 DAO (1.00) DAOPDE3BPDE3APARP1HRH4
SCHEMBL31475468 0.75 DAO (0.65) DAOPDE3BPDE3APARP1HRH4
SCHEMBL22017082 0.74 DAO (0.59) DAOPDE3BPDE3APARP1HRH4
SCHEMBL4310842 0.74 DAO (0.59) DAOPDE3BPDE3APARP1HRH4

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 12 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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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 (12 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 4439/4885PDE3B 335/4885PDE3A 764/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 DAO 4497/4885PDE3B 337/4885PDE3A 803/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 DAO 4307/4885PDE3B 87/4885PDE3A 266/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 DAO 4439/4885PDE3B 335/4885PDE3A 764/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 DAO 4307/4885PDE3B 87/4885PDE3A 266/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 DAO 4439/4885PDE3B 335/4885PDE3A 764/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B DAO 4523/4885PDE3B 248/4885PDE3A 912/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR DAO 4281/4885PDE3B 42/4885PDE3A 62/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 DAO 4439/4885PDE3B 335/4885PDE3A 764/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR DAO 4281/4885PDE3B 42/4885PDE3A 62/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 DAO 4307/4885PDE3B 87/4885PDE3A 266/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR DAO 4281/4885PDE3B 42/4885PDE3A 62/4885

“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.