SCHEMBL4866110

SCHEMBL4866110

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.81
JAK2 O60674 10/20 0.81
JAK1 P23458 10/20 0.81
TYK2 P29597 4/20 0.81
PKN2 Q16513 3/20 0.80
AURKB Q96GD4 2/20 0.80
ROCK2 O75116 2/20 0.75
MARK3 P27448 2/20 0.75
PRKCD Q05655 2/20 0.75
STK3 Q13188 2/20 0.75
ROCK1 Q13464 2/20 0.75
CAMK2D Q13557 2/20 0.75
LRRK2 Q5S007 2/20 0.75
MARK2 Q7KZI7 2/20 0.75
MAP4K3 Q8IVH8 1/20 0.75
MAP4K5 Q9Y4K4 1/20 0.75
DCLK1 O15075 1/20 0.75
ABL1 P00519 1/20 0.75
LCK P06239 1/20 0.75
FYN P06241 1/20 0.75

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
SCHEMBL3061932 1.00 JAK3 (0.81) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4237124 0.92 JAK3 (0.86) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4064715 0.92 JAK3 (0.79) JAK3JAK2JAK1TYK2PKN2
SCHEMBL3068621 0.92 JAK3 (0.81) JAK3JAK2JAK1TYK2PKN2
SCHEMBL2365606 0.92 JAK3 (0.81) JAK3JAK2JAK1TYK2PKN2
SCHEMBL2319414 0.92 JAK3 (0.81) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4062775 0.92 JAK3 (0.81) JAK3JAK2JAK1TYK2PKN2
SCHEMBL28413805 0.91 JAK3 (0.89) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4071961 0.90 JAK3 (0.85) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4069256 0.90 JAK3 (0.93) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111202736-A Compositions containing a mixture of pyrrolopyrimidine derivatives and uses thereof 黄泳华 2020-05-29 CN claimed
CN-111202736-A Compositions containing a mixture of pyrrolopyrimidine derivatives and uses thereof 黄泳华 2020-05-29 CN 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
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.