SCHEMBL765133

SCHEMBL765133

CN1CCc2nc(C(N)=O)sc2C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
F2 P00734 2/20 0.45
GRM5 P41594 1/20 0.45
ALOX15 P16050 1/20 0.44

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
Hydrochloric Acid SCHEMBL31522187 0.98 F10 (0.48) F10KDM4EMEN1ALDH1A1GLA
SCHEMBL30620409 0.88 PRMT5 (0.46) F10KDM4EMEN1ALDH1A1GLA
SCHEMBL10279507 0.86 F10 (0.50) F10KDM4EHPGDF2GRM5
SCHEMBL1251008 0.86 F10 (0.50) F10KDM4EALDH1A1MAPTF2
Lithium SCHEMBL30832626 0.84 F10 (0.49) F10KDM4EALDH1A1MAPTF2
SCHEMBL207703 0.84 F10 (0.49) F10KDM4EALDH1A1MAPTF2
Hydrochloric Acid SCHEMBL209036 0.84 F10 (0.49) F10KDM4EALDH1A1MAPTF2
SCHEMBL20328964 0.84 F10 (0.52) F10F2GRM5
SCHEMBL19288520 0.84 F10 (0.49) F10F2GRM5ALOX15
Hydrochloric Acid SCHEMBL20293520 0.83 F10 (0.51) F10F2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936475-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-05-10 CN claimed
CN-111936475-A Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2020-11-13 CN claimed
US-20240336601-A1 4-PHENYL-INDOLE DERIVATIVES AND RELATED USES CHULALONG UNIVERSITY (TH) 2024-10-10 US disclosed
CN-111936475-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-05-10 CN disclosed
CN-110582493-B Benzoxazole derivatives as immunomodulators 因赛特公司 2024-03-08 CN disclosed
WO-2023223346-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF EDOXABAN INTERMEDIATE MYLAN LABORATORIES LIMITED (IN) 2023-11-23 WO disclosed
CN-114650993-A PD-1/PD-L1 inhibitor and preparation method and application thereof 上海华汇拓医药科技有限公司 2022-06-21 CN disclosed
CN-111606826-B Preparation method of edoxaban intermediate 沧州那瑞化学科技有限公司 2022-02-22 CN disclosed
CN-111936475-A Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2020-11-13 CN disclosed
WO-2019158550-A1 METHOD FOR PREPARING TERT-BUTYL N-((1R,2S,5S)-2-((2-((5-CHLOROPYRIDIN-2-YL)AMINO)-2-OXOACETYL)AMINO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)CARBAMATE MOEHS IBERICA, S.L. (ES) 2019-08-22 WO disclosed
US-10301322-B2 Processes for the preparation of edoxaban and intermediates thereof APOTEX INC. (CA) 2019-05-28 US disclosed
US-20180179226-A1 Processes for the Preparation of Edoxaban and Intermediates Thereof THE BANK OF NOVA SCOTIA (CA) 2018-06-28 US disclosed
EP-2980067-B1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2017-05-17 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
EP-2374456-A1 ACTIVATED BLOOD COAGULATION FACTOR X (FXA) INHIBITOR Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP 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 (3 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-20240336601-A1 4-PHENYL-INDOLE DERIVATIVES AND RELATED USES PDCD1, PDCD1LG2, CD274 F10 4383/4885KDM4E 621/4885MEN1 3191/4885
US-10301322-B2 Processes for the preparation of edoxaban and intermediates thereof VKORC1, CYP2C9, VKORC1L1 F10 26/4885KDM4E 488/4885MEN1 1974/4885
US-20180179226-A1 Processes for the Preparation of Edoxaban and Intermediates Thereof VKORC1, CYP2C9, VKORC1L1 F10 26/4885KDM4E 488/4885MEN1 1974/4885

“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.