SCHEMBL4243245

SCHEMBL4243245

CC1CCN(Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1N(C)c1ncnc2[nH]ccc12

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.71
JAK3 P52333 14/20 0.71
JAK1 P23458 14/20 0.71
TYK2 P29597 3/20 0.71
PKN2 Q16513 1/20 0.55
AURKB Q96GD4 1/20 0.55

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
SCHEMBL4060336 0.89 JAK3 (0.77) JAK2JAK3JAK1TYK2PKN2
SCHEMBL5338099 0.89 JAK3 (0.77) JAK2JAK3JAK1TYK2PKN2
SCHEMBL4070611 0.85 JAK3 (0.71) JAK2JAK3JAK1TYK2PKN2
SCHEMBL4072656 0.84 JAK3 (0.82) JAK2JAK3JAK1TYK2PKN2
SCHEMBL1376867 0.84 JAK3 (1.00) JAK2JAK3JAK1TYK2PKN2
SCHEMBL28403926 0.84 JAK3 (1.00) JAK2JAK3JAK1TYK2PKN2
SCHEMBL16809397 0.84 JAK3 (1.00) JAK2JAK3JAK1TYK2PKN2
SCHEMBL28403918 0.84 JAK3 (1.00) JAK2JAK3JAK1TYK2PKN2
SCHEMBL1120769 0.84 JAK3 (1.00) JAK2JAK3JAK1TYK2PKN2
SCHEMBL28403909 0.84 JAK3 (1.00) JAK2JAK3JAK1TYK2PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686130-B1 Pyrrolo[2,3-d]pyrimidine compounds as immunosuppressive agents PFIZER PROD INC (US) 2009-02-18 EP disclosed
US-20070161666-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2007-07-12 US disclosed
US-7192963-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC (US) 2007-03-20 US disclosed
EP-1686130-A1 Pyrrolo[2,3-d]pyrimidine compounds as immunosuppressive agents Pfizer Products Incorporated (US) 2006-08-02 EP disclosed
EP-1294724-B1 PYRROLO¬2,3-D|PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS PFIZER PROD INC (US) 2006-04-19 EP disclosed
US-6962993-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2005-11-08 US disclosed
US-20050197349-A1 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. 2005-09-08 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
US-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2003-11-27 US disclosed
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-06-06 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-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 JAK2 6/4885JAK3 3/4885JAK1 1/4885
US-20050197349-A1 Pyrrolo[2,3-D]pyrimidine compounds CDK2, CDK3, JAK3 JAK2 4/4885JAK3 3/4885JAK1 5/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 JAK2 6/4885JAK3 3/4885JAK1 1/4885
US-20070161666-A1 Pyrrolo[2,3-d]pyrimidine compounds CDK2, CDK3, JAK3 JAK2 4/4885JAK3 3/4885JAK1 5/4885

“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.