SCHEMBL2344939

SCHEMBL2344939

CC(C)(C)OC(=O)N1Cc2c[nH]nc2C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.50
MAPK1 P28482 1/20 0.46
ESR2 Q92731 1/20 0.44
DDB1 Q16531 3/20 0.43
CRBN Q96SW2 3/20 0.43
HDAC1 Q13547 1/20 0.41
MAPT P10636 2/20 0.41
NAMPT P43490 3/20 0.40
ROCK2 O75116 1/20 0.39
C5AR1 P21730 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2132733 0.87 ESR2 (0.53) NR1H2MAPK1ESR2DDB1CRBN
SCHEMBL19005682 0.87 ESR2 (0.53) NR1H2MAPK1ESR2DDB1CRBN
SCHEMBL24535216 0.85 ESR2 (0.48) NR1H2MAPK1ESR2DDB1CRBN
SCHEMBL22030526 0.81 PARP1 (0.40) NR1H2MAPK1ESR2DDB1CRBN
SCHEMBL21807285 0.80 MAPK1 (0.52) NR1H2MAPK1ESR2DDB1CRBN
SCHEMBL31233749 0.80 NR1H2 (0.49) NR1H2MAPK1ESR2DDB1CRBN
SCHEMBL1171647 0.79 ESR2 (0.48) NR1H2MAPK1ESR2MAPTUSP2
SCHEMBL26260560 0.78 NR1H2 (0.39) NR1H2MAPK1ESR2DDB1CRBN
SCHEMBL23794828 0.78 NR1H2 (0.39) NR1H2MAPK1ESR2DDB1CRBN
SCHEMBL9944477 0.78 NAMPT (0.36) NR1H2NAMPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905325-B Preparation method of augustine intermediate 济南同路医药科技发展有限公司 2022-03-18 CN claimed
US-12528802-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-01-20 US disclosed
EP-4673448-A1 SUBSTITUTED NITROGEN-CONTAINING TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND THE USE THEREOF Impact Therapeutics (Shanghai), Inc. (CN) 2026-01-07 EP disclosed
US-20250122182-A1 MYST Inhibitors Isosterix, Inc. 2025-04-17 US disclosed
EP-4486453-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2025-01-08 EP disclosed
WO-2024254990-A1 COMPOUND HAVING HETEROAROMATIC RING STRUCTURE, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海璎黎药业有限公司 2024-12-19 WO disclosed
CN-119143747-A Heteroaromatic ring structure compound, pharmaceutical composition and application thereof 上海璎黎药业有限公司 2024-12-17 CN disclosed
US-20240408107-A1 LACTAM PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2024-12-12 US disclosed
CN-118843616-A Benzamide compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-10-25 CN disclosed
CN-118772110-A Heteroarone compounds and their use as LSD1 inhibitors 上海复星医药(集团)股份有限公司 2024-10-15 CN disclosed
EP-2820017-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES Genentech, Inc. (US) 2015-01-07 EP disclosed
US-8853212-B2 Substituted aminotetrahydrothiopyrans and derivatives thereof as dipeptidyl peptidase-IV inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP (US) 2014-10-07 US disclosed
WO-2014031515-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2014-02-27 WO disclosed
WO-2013127269-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES GENENTECH,INC. (US) 2013-09-06 WO disclosed
WO-2013127267-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH, INC. (US) 2013-09-06 WO disclosed
EP-2571876-A1 SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
EP-2538783-A1 SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES Merck Sharp & Dohme Corp. (US) 2013-01-02 EP disclosed
US-20120277240-A1 SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME CORP. 2012-11-01 US disclosed
WO-2011146358-A1 SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
WO-2011103256-A1 SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME CORP. (US) 2011-08-25 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 (4 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-20120277240-A1 SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 NR1H2 2030/4885MAPK1 4188/4885ESR2 2751/4885
US-20250122182-A1 MYST Inhibitors MNAT1, SUGT1, ACAT2 NR1H2 1163/4885MAPK1 1355/4885ESR2 2383/4885
US-12528802-B2 Heterocyclic compound GBA2, GBA1, GALC NR1H2 658/4885MAPK1 2177/4885ESR2 4393/4885
US-20240408107-A1 LACTAM PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PKM, PDK3 NR1H2 2814/4885MAPK1 706/4885ESR2 2482/4885

“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.