SCHEMBL871344

SCHEMBL871344

CCS(=O)(=O)N1CC(=CC#N)C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.35
CYP3A4 P08684 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL20527949 0.89 TSHR (0.36) DRD3
SCHEMBL18976304 0.86 HDAC1 (0.38) DRD3
SCHEMBL20527980 0.84 EPHX2 (0.31)
SCHEMBL18975867 0.82
SCHEMBL21775412 0.79 CA1 (0.31)
SCHEMBL18975956 0.78 JAK2 (0.31)
SCHEMBL18975940 0.77
SCHEMBL18975958 0.77 GRM5 (0.34) GRM5
SCHEMBL18202836 0.74 USP30 (0.33) DRD3
SCHEMBL21341346 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567343-A Safe and efficient method for preparing baratinib key intermediate 瑞阳制药股份有限公司 2024-02-20 CN claimed
CN-114380727-A Preparation method of 2- [1- (ethylsulfonyl) -3-azetidine ] acetonitrile 南京焕然生物科技有限公司 2022-04-22 CN claimed
CN-108752254-B Preparation method of 2- [1- (ethylsulfonyl) -3-azetidine ] acetonitrile 道合(潍坊)医药技术有限公司 2021-11-02 CN claimed
US-20190100538-A1 PROCESS FOR THE PREPARATION OF BARICITINIB AND AN INTERMEDIATE THEREOF SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2019-04-04 US claimed
US-20180134713-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE LILLY CO ELI (US) 2018-05-17 US claimed
EP-3310781-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE Eli Lilly and Company (US) 2018-04-25 EP claimed
US-9873706-B2 Process for the preparation of baricitinib and an intermediate thereof SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2018-01-23 US claimed
US-20170327507-A1 PROCESS FOR THE PREPARATION OF BARICITINIB AND AN INTERMEDIATE THEREOF SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-11-16 US claimed
EP-3227298-A1 PROCESS FOR THE PREPARATION OF BARICITINIB AND AN INTERMEDIATE THEREOF Sun Pharmaceutical Industries Ltd (IN) 2017-10-11 EP claimed
WO-2016205487-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE ELI LILLY AND COMPANY (US) 2016-12-22 WO claimed
WO-2016125080-A2 PROCESS FOR THE PREPARATION OF BARICITINIB AND AN INTERMEDIATE THEREOF SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2016-08-11 WO claimed
WO-2016088094-A1 PROCESS FOR THE PREPARATION OF BARICITINIB AND AN INTERMEDIATE THEREOF SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2016-06-09 WO claimed
CN-121800790-A Efficient process for preparing cyclobutane derivatives 瑞阳制药股份有限公司 2026-04-07 CN disclosed
EP-4713095-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS Chengdu Anticancer Bioscience, Ltd. (CN) 2026-03-25 EP disclosed
EP-4288426-B1 QUINOXALINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS INC (US) 2026-02-04 EP disclosed
EP-4592286-A1 MACROCYCLIC NITROGEN-CONTAINING CROWN ETHER COMPOUND AND USE THEREOF AS PROTEIN KINASE INHIBITOR Artivila Biopharma (CN) 2025-07-30 EP disclosed
WO-2009114512-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 WO disclosed
WO-2009114512-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 WO disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 US disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 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 (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-20170327507-A1 PROCESS FOR THE PREPARATION OF BARICITINIB AND AN INTERMEDIATE THEREOF JAK1, JAK3, BTK DRD3 3420/4885CYP3A4 390/4885GRM5 2580/4885
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 DRD3 1978/4885CYP3A4 2817/4885GRM5 3109/4885
US-20180134713-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE AZI2, SRMS, ABL1 DRD3 371/4885CYP3A4 109/4885GRM5 4196/4885
US-20190100538-A1 PROCESS FOR THE PREPARATION OF BARICITINIB AND AN INTERMEDIATE THEREOF JAK1, JAK2, JAK3 DRD3 4252/4885CYP3A4 37/4885GRM5 4073/4885

“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.