SCHEMBL2456804

SCHEMBL2456804

O=C(O)N1CCOCC1CCO

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.44
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
HSD17B10 Q99714 1/20 0.32
DPP4 P27487 1/20 0.32
FKBP1A P62942 1/20 0.31
GLA P06280 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
SCHEMBL5560259 0.85 PDK1 (0.59) PDK1PDK2PDK3L3MBTL1CA12
SCHEMBL509358 0.85 PDK1 (0.59) PDK1PDK2PDK3L3MBTL1CA12
SCHEMBL15909553 0.85 PDK1 (0.59) PDK1PDK2PDK3L3MBTL1CA12
SCHEMBL17893278 0.80 PDK1 (0.42) PDK1PDK2PDK3L3MBTL1CA12
SCHEMBL19056488 0.80 PDK1 (0.41) PDK1PDK2PDK3L3MBTL1CA12
SCHEMBL570641 0.80 PDK1 (0.41) PDK1PDK2PDK3L3MBTL1CA12
SCHEMBL16797367 0.80 PDK1 (0.41) PDK1PDK2PDK3L3MBTL1CA12
SCHEMBL17791708 0.80 PDK1 (0.41) PDK1PDK2PDK3L3MBTL1CA12
SCHEMBL19056428 0.80 PDK1 (0.41) PDK1PDK2PDK3L3MBTL1CA12
Hydrochloric Acid SCHEMBL16058567 0.79 PDK1 (0.40) PDK1PDK2PDK3L3MBTL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022233302-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE 上海赛默罗生物科技有限公司 2022-11-10 WO disclosed
EP-3856726-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE Black Diamond Therapeutics, Inc. (US) 2021-08-04 EP disclosed
WO-2020068867-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2020-04-02 WO disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
EP-2545046-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-01-16 EP disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
WO-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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 (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-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B PDK1 4401/4885PDK2 3891/4885PDK3 3297/4885

“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.