SCHEMBL1376867

SCHEMBL1376867

CC1CCN(Cc2ccccc2)CC1N(C)c1ncnc2[nH]ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 1.00
JAK2 O60674 13/20 1.00
JAK1 P23458 10/20 1.00
TYK2 P29597 5/20 1.00
PKN2 Q16513 3/20 0.62
AURKB Q96GD4 2/20 0.62
ROCK2 O75116 2/20 0.58
MARK3 P27448 2/20 0.58
PRKCD Q05655 2/20 0.58
STK3 Q13188 2/20 0.58
ROCK1 Q13464 2/20 0.58
CAMK2D Q13557 2/20 0.58
LRRK2 Q5S007 2/20 0.58
MARK2 Q7KZI7 2/20 0.58
MAP4K3 Q8IVH8 1/20 0.58
MAP4K5 Q9Y4K4 1/20 0.58
DCLK1 O15075 1/20 0.58
ABL1 P00519 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58

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
SCHEMBL28403909 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
SCHEMBL1120769 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
SCHEMBL28403918 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
SCHEMBL16809397 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
SCHEMBL28403926 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Hydrogen Sulfide SCHEMBL28763305 0.99 JAK3 (0.98) JAK3JAK2JAK1TYK2PKN2
SCHEMBL27676940 0.91 JAK3 (0.84) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4064027 0.91 JAK3 (0.83) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4072656 0.90 JAK3 (0.82) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4060476 0.90 JAK3 (0.82) JAK3JAK2JAK1TYK2PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828380-B2 Efficient method for the preparation of tofacitinib citrate OLON S.P.A. (IT) 2017-11-28 US claimed
US-20160297825-A1 EFFICIENT METHOD FOR THE PREPARATION OF TOFACITINIB CITRATE OLON S.P.A. (IT) 2016-10-13 US claimed
EP-3078665-A1 EFFICIENT METHOD FOR THE PREPARATION OF TOFACITINIB CITRATE OLON S.p.A. (IT) 2016-10-12 EP claimed
CN-105440039-A Synthesis method of tofacitinib citrate SHANDONG ZIBO XINCAT PHARMACEUTICAL CO LTD 2016-03-30 CN claimed
WO-2021084556-A1 Process for the preparation of tofacitinib and intermediates thereof AARTI INDUSTRIES LIMITED (IN) 2021-05-06 WO disclosed
WO-2020183295-A1 PROCESS FOR PREPARATION OF TOFACITINIB AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF INTAS PHARMACEUTICALS LTD. (IN) 2020-09-17 WO disclosed
WO-2018172821-A1 NOVEL TOFACITINIB ADDITION SALTS AND PROCESS FOR THE PREPARATION THEREOF PHALANX LABS PRIVATE LIMITED (IN) 2018-09-27 WO disclosed
US-9856261-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2018-01-02 US disclosed
US-9856261-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2018-01-02 US disclosed
US-9828380-B2 Efficient method for the preparation of tofacitinib citrate OLON S.P.A. (IT) 2017-11-28 US disclosed
US-9828380-B2 Efficient method for the preparation of tofacitinib citrate OLON S.P.A. (IT) 2017-11-28 US disclosed
EP-3026052-A9 PREPARATION OF DEUTERATED PIPERIDINE INHIBITORS OF JANUS KINASE 3 Auspex Pharmaceuticals, Inc. (US) 2016-12-07 EP disclosed
US-20030073719-A1 Chiral salt resolution PFIZER INC. 2003-04-17 US disclosed
CN-1409712-A Pyrrolo [2, 3-d ] pyrimidine compounds PFIZER PROD INC (US) 2003-04-09 CN disclosed
EP-1294724-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS Pfizer Products Inc. (US) 2003-03-26 EP disclosed
EP-1235830-A2 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-06-06 US disclosed
WO-2002000661-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS PFIZER PRODUCTS INC. (US) 2002-01-03 WO disclosed
US-20010053782-A1 Immunosuppressants; organ transplant BLUMENKOPF TODD A (US) 2001-12-20 US disclosed
WO-2001042246-A2 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-06-14 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-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 JAK3 3/4885JAK2 6/4885JAK1 1/4885
US-20160297825-A1 EFFICIENT METHOD FOR THE PREPARATION OF TOFACITINIB CITRATE IDH1, AURKC, COASY JAK3 14/4885JAK2 11/4885JAK1 18/4885
US-20030073719-A1 Chiral salt resolution REN, SRR, RER1 JAK3 4250/4885JAK2 3069/4885JAK1 3549/4885
US-20010053782-A1 Immunosuppressants; organ transplant JAK1, JAK3, TPMT JAK3 2/4885JAK2 14/4885JAK1 1/4885

“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.