SCHEMBL23152307

SCHEMBL23152307

Cc1ccncc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
SIRT3 Q9NTG7 1/20 0.40
HSD17B1 P14061 1/20 0.37
RAB9A P51151 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
GPBAR1 Q8TDU6 5/20 0.34
TACR1 P25103 1/20 0.34
STS P08842 1/20 0.34
NAMPT P43490 2/20 0.34
USP30 Q70CQ3 1/20 0.33
CYP17A1 P05093 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL29811792 0.82 CA12 (0.42) GPR119GPBAR1NAMPT
SCHEMBL23144008 0.82 CA12 (0.42) GPR119GPBAR1NAMPT
SCHEMBL29450028 0.81 GPR119 (0.40) GPR119GPBAR1
SCHEMBL27888384 0.80 GSK3B (0.40) TDP1SIRT3GPBAR1TACR1
SCHEMBL838521 0.80 RAB9A (0.39) TDP1SIRT3HSD17B1RAB9ASTS
SCHEMBL31751282 0.80 RAB9A (0.35) RAB9AGPR119NAMPTUSP30CYP17A1
SCHEMBL9571667 0.76 RAB9A (0.45) TDP1RAB9AGPR119NAMPTALDH1A1
SCHEMBL22885615 0.74 SSTR4 (0.33) USP30
SCHEMBL16587791 0.74 PIM2 (0.38) GPR119
SCHEMBL12097393 0.73 PAX8 (0.36) RAB9AGPBAR1TACR1NAMPT

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-20220267349-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-08-25 US disclosed
EP-4034239-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-08-03 EP disclosed
CN-114401969-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2022-04-26 CN disclosed
US-20210107921-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US disclosed
WO-2021058416-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 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-20210107921-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1, CCNY TDP1 2774/4885SIRT3 571/4885HSD17B1 4045/4885
US-20220267349-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1, CCNY TDP1 2774/4885SIRT3 571/4885HSD17B1 4045/4885

“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.