Sugi Predict

Sugi Predict / Compounds / SCHEMBL3678056

SCHEMBL3678056

SCHEMBL3678056

CC1CCN(C(=O)CCN)CC1N(C)c1ncnc2[nH]ccc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.82
▸ JAK2 O60674 10/20 0.82
▸ JAK1 P23458 10/20 0.82
▸ TYK2 P29597 5/20 0.82
▸ PKN2 Q16513 4/20 0.82
▸ AURKB Q96GD4 2/20 0.82
▸ ROCK2 O75116 3/20 0.77
▸ PRKCD Q05655 3/20 0.77
▸ STK3 Q13188 3/20 0.77
▸ ROCK1 Q13464 3/20 0.77
▸ CAMK2D Q13557 3/20 0.77
▸ LRRK2 Q5S007 3/20 0.77
▸ MARK3 P27448 2/20 0.77
▸ MARK2 Q7KZI7 2/20 0.77
▸ DCLK1 O15075 2/20 0.77
▸ ABL1 P00519 2/20 0.77
▸ LCK P06239 2/20 0.77
▸ FYN P06241 2/20 0.77
▸ RET P07949 2/20 0.77
▸ DMPK Q09013 2/20 0.77

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
SCHEMBL2319641 1.00 JAK3 (0.82) JAK3JAK2JAK1TYK2PKN2
SCHEMBL7495463 0.94 JAK3 (0.73) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4070029 0.93 JAK3 (0.86) JAK3JAK2JAK1TYK2PKN2
SCHEMBL24327026 0.92 JAK3 (0.85) JAK3JAK2JAK1TYK2PKN2
SCHEMBL22511887 0.92 JAK3 (0.85) JAK3JAK2JAK1TYK2PKN2
SCHEMBL13956994 0.92 JAK3 (0.85) JAK3JAK2JAK1TYK2PKN2
SCHEMBL28413805 0.92 JAK3 (0.89) JAK3JAK2JAK1TYK2PKN2
SCHEMBL17279276 0.90 JAK3 (0.85) JAK3JAK2JAK1TYK2PKN2
SCHEMBL2320931 0.90 JAK3 (0.85) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4061609 0.90 JAK3 (1.00) 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 30 patents — showing the first 20. 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
US-7601727-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER, INC. (US) 2009-10-13 — — US disclosed
EP-1686130-B1 Pyrrolo[2,3-d]pyrimidine compounds as immunosuppressive agents PFIZER PROD INC (US) 2009-02-18 — — EP disclosed
US-20070292430-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS BLUMENKOPF TODD A 2007-12-20 — — 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-20050113395-A1 Method of treatment of atherosclerosis PFIZER INC 2005-05-26 — — US 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
US-6696567-B2 INHIBITION OF PROTEIN KINASES OR JANUS KINASE 3; TREATING OR PREVENTING ORGAN TRANSPLANT REJECTION, XENO TRANSPLATION, LUPUS, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS, PSORIASIS, TYPE I DIABETES OR VARIOUS DISEASE COMPLICATIONS PFIZER INC. 2004-02-24 — — 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-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2003-11-27 — — US 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
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-06-06 — — US 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 (7 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-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 JAK3 3/4885JAK2 6/4885JAK1 1/4885
US-20100035903-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS JAK3, JAK1, PDXK JAK3 1/4885JAK2 5/4885JAK1 2/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 JAK3 3/4885JAK2 6/4885JAK1 1/4885
US-20040053947-A1 Pyrrolo[2,3-D]pyrimidine compounds JAK1, JAK3, TPMT JAK3 2/4885JAK2 8/4885JAK1 1/4885
US-20070292430-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS JAK3, JAK1, PDXK JAK3 1/4885JAK2 5/4885JAK1 2/4885
US-20010053782-A1 Immunosuppressants; organ transplant JAK1, JAK3, TPMT JAK3 2/4885JAK2 14/4885JAK1 1/4885
US-20050113395-A1 Method of treatment of atherosclerosis LDLR, MSR1, NR1H2 JAK3 2714/4885JAK2 1703/4885JAK1 3055/4885

“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.