SCHEMBL10006737

SCHEMBL10006737

CN(C)C(=O)n1c(=O)n(C)c2cnc(-c3ccc(OCC(F)(F)F)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 10/20 0.42
▸ TSPO P30536 1/20 0.40
▸ ATM Q13315 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ LIPE Q05469 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ STAT3 P40763 1/20 0.36

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
SCHEMBL10006722 0.86 BCHE (0.47) USP1TSPOBCHEACHELIPE
SCHEMBL10007752 0.85 USP1 (0.38) USP1
SCHEMBL10007321 0.84 USP1 (0.42) USP1TSPOATM
SCHEMBL10260815 0.81 TSPO (0.54) USP1TSPOBCHEACHELIPE
SCHEMBL10007025 0.80 GRIN1 (0.42) USP1TSPO
SCHEMBL10006887 0.78 USP1 (0.37) USP1STAT3
SCHEMBL10292436 0.78 BCHE (0.39) USP1ATMBCHEACHE
SCHEMBL10292433 0.77 BCHE (0.41) USP1ATMBCHEACHE
Hydrochloric Acid SCHEMBL10006661 0.77 BCHE (0.39) USP1ATMBCHEACHE
Hydrochloric Acid SCHEMBL10006945 0.76 BCHE (0.40) USP1ATMBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2476682-B1 8-OXODIHYDROPURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-04-26 — — EP disclosed
US-8735406-B2 8-oxodihydropurine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-05-27 — — US disclosed
EP-2476682-A1 8-OXODIHYDROPURINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-07-18 — — EP disclosed
US-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-05 — — 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-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE FAAH, FAAH2, TPMT USP1 1070/4885TSPO 1233/4885ATM 4719/4885

“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