SCHEMBL22016173

SCHEMBL22016173

CC(C)c1cc2cnccc2n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD1 O95696 2/20 0.41
BRPF1 P55201 2/20 0.41
BRPF3 Q9ULD4 2/20 0.41
BTK Q06187 3/20 0.41
SRC P12931 3/20 0.41
BRD9 Q9H8M2 1/20 0.36
LYN P07948 1/20 0.36
AAK1 Q2M2I8 3/20 0.36
MKNK2 Q9HBH9 2/20 0.35
DAO P14920 1/20 0.35
ATM Q13315 1/20 0.35
FGFR1 P11362 1/20 0.34
IDH1 O75874 2/20 0.34
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
HASPIN Q8TF76 1/20 0.33
RPS6KA3 P51812 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL22016213 0.88 MAPT (0.40) BRD1BRPF1BRPF3BTKSRC
SCHEMBL10813893 0.79 BRPF1 (0.54) BRD1BRPF1BRPF3BRD9MKNK2
SCHEMBL21957013 0.78 HASPIN (0.44) BRPF1SRCMKNK2DAOATM
SCHEMBL19737524 0.77 DAO (0.59) BRD1BRPF1BRPF3BRD9DAO
SCHEMBL23478504 0.77 ATM (0.41) MKNK2ATMFGFR1CDC7CDK2
SCHEMBL22016466 0.76 BRPF1 (0.40) BRPF1BTKSRCMKNK2DAO
SCHEMBL24437253 0.75 FGFR1 (0.40) BRPF1SRCMKNK2DAOATM
SCHEMBL17120948 0.74 SRC (0.45) BRD1BRPF1BRPF3BTKSRC
SCHEMBL22016175 0.74 AAK1 (0.38) BTKSRCAAK1
SCHEMBL21549788 0.73 BRPF1 (0.50) BRD1BRPF1BRPF3BRD9IDH1

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 9 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-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-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-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 (9 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 BRD1 3070/4885BRPF1 2514/4885BRPF3 3117/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 BRD1 2580/4885BRPF1 2113/4885BRPF3 2544/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 BRD1 474/4885BRPF1 3011/4885BRPF3 494/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 BRD1 3070/4885BRPF1 2514/4885BRPF3 3117/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 BRD1 474/4885BRPF1 3011/4885BRPF3 494/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 BRD1 3070/4885BRPF1 2514/4885BRPF3 3117/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B BRD1 1536/4885BRPF1 2879/4885BRPF3 1811/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 BRD1 3070/4885BRPF1 2514/4885BRPF3 3117/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 BRD1 474/4885BRPF1 3011/4885BRPF3 494/4885

“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.