SCHEMBL2319641

SCHEMBL2319641

C[C@@H]1CCN(C(=O)CCN)C[C@@H]1N(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
SCHEMBL3678056 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609781-B1 Optical resolution of (1-benzyl-4-methylpiperidin-3-yl)-methylamine PFIZER PROD INC (US) 2011-08-10 EP disclosed
US-7432370-B2 Mixing a racemic mixture of enantiomers of pyrrolo[2,3-d]pyrimidine compounds in a solvent, with a resolving compound having a defined stereospecificity, to form a solution and with resolving agent being capable of binding with enantiomers to form a precipitate collecting precipitate and purifying PFIZER INC. (US) 2008-10-07 US disclosed
US-7301023-B2 Chiral salt resolution PFIZER INC. (US) 2007-11-27 US disclosed
EP-1666481-A2 OPTICAL RESOLUTION OF (1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE AND THE USE THEREOF FOR THE PREPARATION OF PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS PROTEIN KINASES INHIBITORS Pfizer Products Incorporated (US) 2006-06-07 EP disclosed
EP-1609781-A1 Optical resolution of (1-benzyl-4-methylpiperidin-3-yl)-methylamine Pfizer Products Incorporated (US) 2005-12-28 EP disclosed
US-20040229923-A1 Chiral salt resolution PFIZER INC. 2004-11-18 US 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 (2 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

“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.