SCHEMBL4124235

SCHEMBL4124235

CC(C)(C)OC(=O)NCC1CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.58
GSK3B P49841 2/20 0.58
LCK P06239 1/20 0.57
JAK2 O60674 6/20 0.56
JAK1 P23458 5/20 0.56
JAK3 P52333 9/20 0.55
TYK2 P29597 4/20 0.55
KIT P10721 2/20 0.55
CKS1B P61024 1/20 0.52
SKP1 P63208 1/20 0.52
SKP2 Q13309 1/20 0.52
ACACB O00763 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51

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
SCHEMBL30151471 1.00 AKT2 (0.58) AKT2GSK3BLCKJAK2JAK1
SCHEMBL13651711 0.88 JAK3 (0.57) JAK2JAK1JAK3TYK2
SCHEMBL1005506 0.85 KIT (0.60) AKT2GSK3BLCKJAK2JAK1
SCHEMBL30151464 0.85 KIT (0.60) AKT2GSK3BLCKJAK2JAK1
SCHEMBL4124792 0.84 SIRT2 (0.52) AKT2JAK2JAK1KITCKS1B
SCHEMBL14391712 0.84 AKT2 (0.58) AKT2CKS1BSKP1SKP2SIRT2
SCHEMBL14162955 0.83 JAK3 (0.49) AKT2JAK2JAK1JAK3
SCHEMBL24805277 0.82 AKT1 (0.53) CKS1BSKP1SKP2SIRT2SIRT1
SCHEMBL24804209 0.82 LCK (0.55) AKT2GSK3BLCKJAK2JAK1
SCHEMBL24805941 0.82 ENPP1 (0.64) AKT2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411420-A1 PYRROLOPYRIMIDINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE INHIBITORY ACTIVITY AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-29 US disclosed
US-20090253718-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2009-10-08 US disclosed
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2009-04-16 US disclosed
WO-2007125315-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 WO 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 (3 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-20090253718-A1 Pharmaceutical Compounds GRK3, CNKSR1, CSNK1G3 AKT2 153/4885GSK3B 157/4885LCK 726/4885
US-20220411420-A1 PYRROLOPYRIMIDINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE INHIBITORY ACTIVITY AND USE THEREOF ENPP1, ENPP3, PPA1 AKT2 1623/4885GSK3B 942/4885LCK 2213/4885
US-20090099213-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors OXSR1, CDK1, CDK3 AKT2 999/4885GSK3B 605/4885LCK 601/4885

“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.