SCHEMBL17808577

SCHEMBL17808577

CC(C)(C)C1=NNC(=O)C(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.36
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19242783 0.82 TSHR (0.32)
SCHEMBL19242697 0.79 TSHR (0.33) KDM4E
SCHEMBL19413537 0.77 HSD17B10 (0.30)
SCHEMBL2755819 0.72 HRH3 (0.33) KCNH2HRH3
SCHEMBL17808532 0.68 KCNH2 (0.31) KCNH2HRH3
SCHEMBL19413484 0.68 TSHR (0.35) KCNH2HRH3KDM4E
SCHEMBL2827545 0.66 GAA (0.39) CRBNKDM4EGAATHRBRECQL
SCHEMBL21325014 0.63 KDM4E (0.36) KDM4EGAATHRBRECQLL3MBTL1
SCHEMBL11568277 0.61 HRH3 (0.50) KCNH2HRH3GAARECQLL3MBTL1
SCHEMBL20138742 0.61 HRH3 (0.53) KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210186958-A1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-06-24 US disclosed
EP-3227279-B1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS LILLY CO ELI (US) 2019-02-13 EP disclosed
US-9776992-B2 1-oxo-1,2-dihydroisoquinolin-7-yl-(5-substituted-thiophen-2-yl)-sulfonamide compounds, formulations containing those compounds, and their use as AICARFT inhibitors in the treatment of cancers ELI LILLY AND COMPANY (US) 2017-10-03 US disclosed
US-20170233378-A1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS ELI LILLY AND COMPANY (US) 2017-08-17 US disclosed
WO-2016089670-A1 1 -OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS ELI LILLY AND COMPANY (US) 2016-06-09 WO 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 (2 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-20210186958-A1 GLYCOSIDASE INHIBITORS ENGASE, GAA, GLA CRBN 2525/4885KCNH2 2499/4885HRH3 3374/4885
US-20170233378-A1 1-OXO-1,2-DIHYDROISOQUINOLIN-7-YL-(5-SUBSTITUTED-THIOPHEN-2-YL)-SULFONAMIDE COMPOUNDS, FORMULATIONS CONTAINING THOSE COMPOUNDS, AND THEIR USE AS AICARFT INHIBITORS IN THE TREATMENT OF CANCERS CDKN1A, API5, NUTF2 CRBN 1930/4885KCNH2 4739/4885HRH3 4512/4885

“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.