SCHEMBL22016204

SCHEMBL22016204

Cc1ncc(C(C)C)c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.38
LMNA P02545 2/20 0.33
CRHR1 P34998 2/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 3/20 0.32
ADORA2B P29275 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
BTK Q06187 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HCAR1 Q9BXC0 1/20 0.30
TRPC5 Q9UL62 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL25604490 0.78 KDM5A (0.37) KDM5ALMNAADORA2BBTK
SCHEMBL13216909 0.76 ALDH1A1 (0.34) LMNAKDM4ETP53ADORA2BKMT2A
SCHEMBL21957490 0.72 HSD17B10 (0.36) LMNAKDM4ETP53KMT2ARXFP1
SCHEMBL8738090 0.71 LMNA (0.38) LMNA
SCHEMBL22017512 0.71
SCHEMBL21652559 0.71 KDM5A (0.32) KDM5ALMNACRHR1KDM4ETP53
SCHEMBL12536559 0.69 TP53 (0.34) KDM5ALMNATP53KDM5BMAPT
SCHEMBL12180267 0.68 LMNA (0.34) LMNACRHR1KDM4ETP53HCAR1
SCHEMBL23900461 0.68 KDM4E (0.47) KDM4EADORA2BKMT2A
SCHEMBL12848057 0.68 CDK4 (0.45) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322731-A1 HETEROARYL-BIPHENYL AMIDES FOR THE TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. 2023-10-12 US disclosed
US-11713307-B2 Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases CHEMOCENTRYX, INC. (US) 2023-08-01 US disclosed
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 (11 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-20230322731-A1 HETEROARYL-BIPHENYL AMIDES FOR THE TREATMENT OF PD-L1 DISEASES CD274, PDCD1LG2, PDCD1 KDM5A 763/4885LMNA 1671/4885CRHR1 1532/4885
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 KDM5A 3004/4885LMNA 2479/4885CRHR1 4386/4885
US-11713307-B2 Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases CD274, PDCD1LG2, PDCD1 KDM5A 763/4885LMNA 1671/4885CRHR1 1532/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KDM5A 2534/4885LMNA 3437/4885CRHR1 4560/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM5A 2386/4885LMNA 2900/4885CRHR1 3329/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM5A 3004/4885LMNA 2479/4885CRHR1 4386/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM5A 2386/4885LMNA 2900/4885CRHR1 3329/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 KDM5A 3004/4885LMNA 2479/4885CRHR1 4386/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KDM5A 2656/4885LMNA 2991/4885CRHR1 4653/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM5A 3004/4885LMNA 2479/4885CRHR1 4386/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDM5A 2386/4885LMNA 2900/4885CRHR1 3329/4885

“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.