SCHEMBL705138

SCHEMBL705138

CC(C)(C)OC(=O)N1CCCC1(C)C=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 1/20 0.36
JAK3 P52333 2/20 0.35
HPGD P15428 1/20 0.35
EPHX1 P07099 1/20 0.33
NR1H2 P55055 1/20 0.32
PREP P48147 1/20 0.32
EPHX2 P34913 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL11963181 1.00 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL8344035 1.00 GRIN2B (0.41) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL27092767 0.95 GRIN2B (0.38) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL22231289 0.90 USP2 (0.39) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL27092766 0.86 GRIN2B (0.40) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL31105130 0.84 GRIN2B (0.39) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL29530324 0.82 GRIN2B (0.33) GRIN2BGRIN2CCTSK
SCHEMBL27092793 0.81 GRIN2B (0.37) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL31566932 0.80 GRIN2B (0.37) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK
SCHEMBL475482 0.80 GRIN2B (0.44) GRIN2BGRIN2CUSP2SMN1; SMN2CTSK

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013749-B1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS INC (US) 2026-03-11 EP disclosed
US-20260049063-A1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS INC (US) 2026-02-19 US disclosed
US-20250340548-A1 KRAS G12C INHIBITORS FRONTIER MEDICINES CORP (US) 2025-11-06 US disclosed
US-12435046-B2 Alkynyl quinazoline compounds BLACK DIAMOND THERAPEUTICS, INC. (US) 2025-10-07 US disclosed
WO-2025096637-A1 SUBSTITUTED ARYL SULFONAMIDES FOR USE AS SODIUM CHANNEL INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2025-05-08 WO disclosed
US-12291539-B2 KRAS G12C inhibitors FRONTIER MEDICINES CORPORATION (US) 2025-05-06 US disclosed
CN-119320383-A Nitrogen-containing heteroaryl compound, and preparation method and application thereof 北京鞍石生物科技股份有限公司 2025-01-17 CN disclosed
US-20250019387-A1 KRAS G12C INHIBITORS FRONTIER MEDICINES CORPORATION 2025-01-16 US disclosed
EP-4426695-A1 KRAS G12C INHIBITORS Frontier Medicines Corporation (US) 2024-09-11 EP disclosed
US-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-07-25 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed
EP-2280970-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009132986-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HOFFMANN-LA ROCHE, INC. 2009-11-05 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 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 (9 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-12435046-B2 Alkynyl quinazoline compounds GLS, GLS2, MCL1 GRIN2B 1629/4885GRIN2C 844/4885USP2 2868/4885
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 GRIN2B 22/4885GRIN2C 9/4885USP2 2061/4885
US-20240246995-A1 PYRIMIDINONE DERIVATIVE AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE PLA2G1B, LYPLAL1, PLA2G12B GRIN2B 1838/4885GRIN2C 2348/4885USP2 3462/4885
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 GRIN2B 3191/4885GRIN2C 3495/4885USP2 1631/4885
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HSD11B1, HSD17B1, HSD17B11 GRIN2B 872/4885GRIN2C 1124/4885USP2 3391/4885
US-12291539-B2 KRAS G12C inhibitors KRAS, NRAS, HRAS GRIN2B 4510/4885GRIN2C 3675/4885USP2 953/4885
US-20250340548-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS GRIN2B 4510/4885GRIN2C 3675/4885USP2 953/4885
US-20250019387-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS GRIN2B 4510/4885GRIN2C 3675/4885USP2 953/4885
US-20260049063-A1 ALKYNYL QUINAZOLINE COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, BCL6 GRIN2B 3016/4885GRIN2C 294/4885USP2 3743/4885

“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.