SCHEMBL925018

SCHEMBL925018

CC(C)(C)OC(=O)Nc1ccc(CBr)nc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
CYP17A1 P05093 2/20 0.47
MAPKAPK2 P49137 7/20 0.47
PSMB8 P28062 1/20 0.42
MAP4K4 O95819 1/20 0.42
BCL2 P10415 1/20 0.41
AR P10275 1/20 0.40
SREBF2 Q12772 1/20 0.40
GLS O94925 1/20 0.40

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
SCHEMBL29850092 0.87 NAMPT (0.49) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL17247383 0.87 MAPKAPK2 (0.53) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL853159 0.87 NAMPT (0.49) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL14260617 0.86 NAMPT (0.48) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL16245958 0.84 NAMPT (0.47) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL4373897 0.84 PTGDR2 (0.49) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL16246250 0.83 NAMPT (0.46) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL13990400 0.83 NAMPT (0.46) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL13141081 0.83 NAMPT (0.46) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL28256620 0.83 NAMPT (0.46) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4

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-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-7868188-B2 5-heteroaryl thiazoles and their use as PI3K inhibitors ASTRAZENECA AB (SE) 2011-01-11 US disclosed
EP-1841763-B1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2010-06-30 EP disclosed
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors ASTRAZENECA AB (SE) 2008-06-05 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 (3 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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 NAMPT 1241/4885CYP17A1 1767/4885MAPKAPK2 4701/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH NAMPT 1704/4885CYP17A1 1788/4885MAPKAPK2 4682/4885
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors MTOR, PIK3R5, PIK3CA NAMPT 1189/4885CYP17A1 419/4885MAPKAPK2 366/4885

“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.