SCHEMBL2323500

SCHEMBL2323500

C#CCC(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc23)C1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.85
JAK2 O60674 10/20 0.85
JAK1 P23458 10/20 0.85
TYK2 P29597 5/20 0.85
PKN2 Q16513 4/20 0.85
ROCK2 O75116 3/20 0.85
PRKCD Q05655 3/20 0.85
STK3 Q13188 3/20 0.85
ROCK1 Q13464 3/20 0.85
CAMK2D Q13557 3/20 0.85
LRRK2 Q5S007 3/20 0.85
MARK3 P27448 2/20 0.85
MARK2 Q7KZI7 2/20 0.85
AURKB Q96GD4 2/20 0.85
DCLK1 O15075 2/20 0.85
ABL1 P00519 2/20 0.85
LCK P06239 2/20 0.85
FYN P06241 2/20 0.85
RET P07949 2/20 0.85
DMPK Q09013 2/20 0.85

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
SCHEMBL3065509 1.00 JAK3 (0.85) JAK3JAK2JAK1TYK2PKN2
SCHEMBL16937876 1.00 JAK3 (0.85) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL322753 0.92 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tasocitinib SCHEMBL30341861 0.92 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL29351183 0.92 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL23199919 0.92 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tasocitinib SCHEMBL23058868 0.92 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL29816283 0.92 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL28416782 0.92 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL30925309 0.92 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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9050342-B2 Beneficial effects of combination therapy on cholesterol PFIZER INC. (US) 2015-06-09 US claimed
US-20120252825-A1 BENEFICIAL EFFECTS OF COMBINATION THERAPY ON CHOLESTEROL PFIZER INC. (US) 2012-10-04 US claimed
WO-2008029237-A2 COMBINATION THERAPIES FOR RHEUMATOID ARTHRITIS PFIZER PRODUCTS INC. (US) 2008-03-13 WO claimed
US-7250420-B2 Method of treatment of transplant rejection PFIZER INC. (US) 2007-07-31 US claimed
EP-1734967-A2 PYRROLO [2,3-D] PYRIMIDINE COMPOUNDS FOR TREATING TRANSPLANT REJECTION Pfizer Products Incorporated (US) 2006-12-27 EP claimed
EP-1689407-A1 METHOD OF TREATMENT OF ATHEROSCLEROSIS Pfizer Products Inc. (US) 2006-08-16 EP claimed
EP-1572213-A1 METHOD OF TREATMENT OF TRANSPLANT REJECTION Pfizer Products Inc. (US) 2005-09-14 EP claimed
US-20050159433-A1 Method treatment of transplant rejection PFIZER INC 2005-07-21 US claimed
WO-2005063251-A1 MODIFIED STENT USEFUL FOR DELIVERY OF DRUGS ALONG STENT STRUT PFIZER PRODUCTS INC. (US) 2005-07-14 WO claimed
WO-2005060972-A2 PYRROLO [2,3-D] PYRIMIDINE COMPOUNDS FOR TREATING TRANSPLANT REJECTION PFIZER PRODUCTS INC. (US) 2005-07-07 WO claimed
US-20050137679-A1 Modified stent useful for delivery of drugs along stent strut PFIZER INC 2005-06-23 US claimed
WO-2005051393-A1 METHOD OF TREATMENT OF ATHEROSCLEROSIS PFIZER PRODUCTS INC. (US) 2005-06-09 WO claimed
US-20040229923-A1 Chiral salt resolution PFIZER INC. 2004-11-18 US claimed
US-20040116449-A1 Method of treatment of transplant rejection PFIZER INC 2004-06-17 US claimed
WO-2004047843-A1 METHOD OF TREATMENT OF TRANSPLANT REJECTION PFIZER PRODUCTS INC. (US) 2004-06-10 WO claimed
US-20030073719-A1 Chiral salt resolution PFIZER INC. 2003-04-17 US claimed
US-9050342-B2 Beneficial effects of combination therapy on cholesterol PFIZER INC. (US) 2015-06-09 US disclosed
US-20130338168-A1 Combinations of JAK Inhibitors NOVARTIS AG (CH) 2013-12-19 US disclosed
WO-2004047843-A1 METHOD OF TREATMENT OF TRANSPLANT REJECTION PFIZER PRODUCTS INC. (US) 2004-06-10 WO disclosed
US-20030073719-A1 Chiral salt resolution PFIZER INC. 2003-04-17 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 (5 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-20040229923-A1 Chiral salt resolution REN, SRR, RER1 JAK3 4250/4885JAK2 3069/4885JAK1 3549/4885
US-20030073719-A1 Chiral salt resolution REN, SRR, RER1 JAK3 4250/4885JAK2 3069/4885JAK1 3549/4885
US-20050159433-A1 Method treatment of transplant rejection ARG1, TST, CD74 JAK3 1530/4885JAK2 2735/4885JAK1 1850/4885
US-20130338168-A1 Combinations of JAK Inhibitors JAK2, JAK3, JAK1 JAK3 2/4885JAK2 1/4885JAK1 3/4885
US-20120252825-A1 BENEFICIAL EFFECTS OF COMBINATION THERAPY ON CHOLESTEROL HMGCR, LDLR, PCSK9 JAK3 102/4885JAK2 87/4885JAK1 48/4885

“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.