SCHEMBL26079062

SCHEMBL26079062

CC(C)(C)OC(=O)Nc1cnc(CCN=[N+]=[N-])nc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.39
▸ MAPKAPK2 P49137 10/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ ATR Q13535 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ SREBF2 Q12772 1/20 0.34

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
SCHEMBL26079064 0.82 CYP17A1 (0.43) CYP17A1MAPKAPK2PSMB8NAMPTATR
SCHEMBL24723482 0.80 CYP17A1 (0.51) CYP17A1PSMB8NAMPTMAPK14
SCHEMBL21885914 0.79 CYP17A1 (0.45) CYP17A1MAPKAPK2PSMB8NAMPTATR
SCHEMBL16562887 0.79 NAMPT (0.43) CYP17A1MAPKAPK2PSMB8NAMPTMAPK14
SCHEMBL21885974 0.76 CA1 (0.43) CYP17A1MAPKAPK2NAMPTATRMAP4K4
SCHEMBL13827424 0.75 HDAC8 (0.48) CYP17A1
SCHEMBL26079041 0.74 HDAC8 (0.46) CYP17A1MAPKAPK2PSMB8NAMPTMAPK14
SCHEMBL25381461 0.73 CYP17A1 (0.52) CYP17A1MAPKAPK2PSMB8NAMPTMAPK14
SCHEMBL23498179 0.73 LMNA (0.41) —
SCHEMBL16352595 0.73 NR3C2 (0.39) CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310400-A9 SYNTHESIS OF SMALL MOLECULE HISTONE DEACETYLASE 6 DEGRADERS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-10-05 — — 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 (1 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-20230310400-A9 SYNTHESIS OF SMALL MOLECULE HISTONE DEACETYLASE 6 DEGRADERS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HDAC1, HDAC6, HDAC3 CYP17A1 2649/4885MAPKAPK2 1951/4885PSMB8 99/4885

“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.

Send feedback