SCHEMBL7271827

SCHEMBL7271827

CC(=O)c1nc(C(C)(C)C)no1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.44
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
IKBKB O14920 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
SCHEMBL15662749 0.83 PIK3CG (0.41) PIK3CGKDM4EGAA
SCHEMBL30281806 0.82 PIK3CG (0.40) PIK3CGKDM4EGAA
SCHEMBL12410858 0.82 PIK3CG (0.40) PIK3CGKDM4EGAAIKBKB
SCHEMBL28917520 0.82 PIK3CG (0.40) PIK3CGKDM4EGAA
SCHEMBL25259423 0.80 PIK3CG (0.39) PIK3CGKDM4EGAA
Potassium Ion SCHEMBL22659395 0.80 PIK3CG (0.39) PIK3CGKDM4EGAA
Hydrochloric Acid SCHEMBL30484796 0.80 PIK3CG (0.39) PIK3CGKDM4EGAAIKBKB
SCHEMBL12410863 0.79 PIK3CG (0.41) PIK3CGKDM4EGAA
SCHEMBL12410864 0.79 PIK3CG (0.38) PIK3CGKDM4EGAA
SCHEMBL17645642 0.79 PIK3CG (0.41) PIK3CGKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
US-11547698-B2 Aryl hydrocarbon receptor modulators ARIAGEN, INC. (US) 2023-01-10 US disclosed
EP-3500569-B1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-05-18 EP disclosed
WO-2021180103-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-09-16 WO disclosed
WO-2021087112-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2021-05-06 WO disclosed
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR PHARMACEUTICALS, INC. 2019-10-31 US disclosed
US-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-10-10 US disclosed
US-10266528-B2 2-oxo-imidazopyridines as reversible BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-23 US disclosed
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-08-09 US disclosed
US-20180051024-A1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-22 US disclosed
WO-2018035080-A1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-22 WO disclosed
US-4760147-A Isopropyl 1,4-dihydro-2,6-dimethyl-4-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2 -yl)pyridine-5-carboxylate CASSELLA AKTIENGESELLSCHAFT (DE) 1988-07-26 US disclosed
US-4681891-A Dihydro-2,6-dimethyl pyridines, formulations and method of use for treating angina pectoris, high blood pressure or disturbances of cerebral or peripheral blood flow CASSELLA AKTIENGESELLSCHAFT (DE) 1987-07-21 US disclosed
EP-0183091-A2 1,4-Dihydropyridines, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1986-06-04 EP disclosed
EP-0172509-A2 Process for the preparation of optically active, substituted 1,4-dihydropyridines and their use as medicaments CASSELLA Aktiengesellschaft (DE) 1986-02-26 EP disclosed
US-4558058-A HYPOTENSIVE AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1985-12-10 US disclosed
EP-0116708-A1 Substituted 1,4-dihydropyridines, method for their preparation and their use as pharmaceuticals CASSELLA Aktiengesellschaft (DE) 1984-08-29 EP 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-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 PIK3CG 4692/4885KDM4E 2566/4885GAA 4860/4885
US-10266528-B2 2-oxo-imidazopyridines as reversible BTK inhibitors and uses thereof BTK, SYK, LCK PIK3CG 57/4885KDM4E 783/4885GAA 3416/4885
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA PIK3CG 3435/4885KDM4E 3081/4885GAA 4532/4885
US-11547698-B2 Aryl hydrocarbon receptor modulators AHR, ARNT, CNR1 PIK3CG 4692/4885KDM4E 2197/4885GAA 4762/4885
US-20180051024-A1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK PIK3CG 57/4885KDM4E 783/4885GAA 3416/4885
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, CNR1 PIK3CG 4692/4885KDM4E 2197/4885GAA 4762/4885

“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.