SCHEMBL3679052

SCHEMBL3679052

CC(C)COC(=O)N1CCC(C)C(N(C)c2ncnc3[nH]ccc23)C1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.79
JAK1 P23458 10/20 0.79
JAK3 P52333 18/20 0.71
TYK2 P29597 4/20 0.71
PKN2 Q16513 3/20 0.71
AURKB Q96GD4 2/20 0.71
ROCK2 O75116 2/20 0.67
MARK3 P27448 2/20 0.67
PRKCD Q05655 2/20 0.67
STK3 Q13188 2/20 0.67
ROCK1 Q13464 2/20 0.67
CAMK2D Q13557 2/20 0.67
LRRK2 Q5S007 2/20 0.67
MARK2 Q7KZI7 2/20 0.67
MAP4K3 Q8IVH8 1/20 0.67
MAP4K5 Q9Y4K4 1/20 0.67
DCLK1 O15075 1/20 0.67
ABL1 P00519 1/20 0.67
LCK P06239 1/20 0.67
FYN P06241 1/20 0.67

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
SCHEMBL2316849 1.00 JAK2 (0.79) JAK2JAK1JAK3TYK2PKN2
SCHEMBL7494320 0.94 JAK2 (0.71) JAK2JAK1JAK3TYK2PKN2
SCHEMBL4064069 0.88 JAK3 (0.73) JAK2JAK1JAK3TYK2PKN2
SCHEMBL28416005 0.88 JAK1 (1.00) JAK2JAK1JAK3TYK2
SCHEMBL20183293 0.88 JAK1 (1.00) JAK2JAK1JAK3TYK2
SCHEMBL3674893 0.88 JAK3 (0.79) JAK2JAK1JAK3TYK2PKN2
SCHEMBL3051157 0.88 JAK3 (0.79) JAK2JAK1JAK3TYK2PKN2
SCHEMBL4069943 0.88 JAK3 (0.71) JAK2JAK1JAK3TYK2PKN2
SCHEMBL4063458 0.87 JAK3 (0.70) JAK2JAK1JAK3TYK2PKN2
SCHEMBL4065801 0.87 JAK3 (0.70) JAK2JAK1JAK3TYK2PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265221-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER, INC. (US) 2007-09-04 US claimed
US-7842699-B2 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. (US) 2010-11-30 US disclosed
US-RE41783-E1 Immunosuppressants; organ transplant; CP 690550 which is 3-(4-Methyl-3-(methyl-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-amino)-piperidin-1-yl)-3-oxo-propionitrile; inhibitors of the enzyme protein kinases such as Janus Kinase 3 PFIZER INC. (US) 2010-09-28 US disclosed
US-20100035903-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS BLUMENKOPF TODD A 2010-02-11 US disclosed
EP-1382339-B1 Compositions containing pyrrolo ¬2,3-d pyrimidine derivatives PFIZER PROD INC (US) 2007-12-05 EP disclosed
US-7265221-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER, INC. (US) 2007-09-04 US disclosed
US-7250420-B2 Method of treatment of transplant rejection PFIZER INC. (US) 2007-07-31 US disclosed
US-20060241131-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2006-10-26 US disclosed
US-7091208-B2 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. (US) 2006-08-15 US disclosed
US-20050288313-A1 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC 2005-12-29 US disclosed
US-6956041-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2005-10-18 US disclosed
US-20050113395-A1 Method of treatment of atherosclerosis PFIZER INC 2005-05-26 US disclosed
CN-1195755-C Pyrrolo [2,3-d] pyrimidine compounds PFIZER PROD INC (US) 2005-04-06 CN disclosed
US-20040116449-A1 Method of treatment of transplant rejection PFIZER INC 2004-06-17 US disclosed
US-20040053947-A1 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. 2004-03-18 US disclosed
EP-1382339-A1 Compositions containing pyrrolo [2,3-d] pyrimidine derivatives Pfizer Products Inc. (US) 2004-01-21 EP disclosed
EP-1235830-B1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS PROTEIN KINASES INHIBITORS PFIZER PROD INC (US) 2004-01-02 EP disclosed
US-6627754-B2 Immunosuppressants; organ transplant; CP 690550 which is 3-(4-Methyl-3-(methyl-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-amino)-piperidin-1-yl)-3-oxo-propionitrile PFIZER INC. 2003-09-30 US disclosed
CN-1409712-A Pyrrolo [2, 3-d ] pyrimidine compounds PFIZER PROD INC (US) 2003-04-09 CN disclosed
US-20010053782-A1 Immunosuppressants; organ transplant BLUMENKOPF TODD A (US) 2001-12-20 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 (6 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-20100035903-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS JAK3, JAK1, PDXK JAK2 5/4885JAK1 2/4885JAK3 1/4885
US-20040053947-A1 Pyrrolo[2,3-D]pyrimidine compounds JAK1, JAK3, TPMT JAK2 8/4885JAK1 1/4885JAK3 2/4885
US-20050288313-A1 Pyrrolo[2,3-D]pyrimidine compounds JAK3, JAK1, PDXK JAK2 5/4885JAK1 2/4885JAK3 1/4885
US-20060241131-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, PDXK JAK2 5/4885JAK1 2/4885JAK3 1/4885
US-20010053782-A1 Immunosuppressants; organ transplant JAK1, JAK3, TPMT JAK2 14/4885JAK1 1/4885JAK3 2/4885
US-20050113395-A1 Method of treatment of atherosclerosis LDLR, MSR1, NR1H2 JAK2 1703/4885JAK1 3055/4885JAK3 2714/4885

“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.