SCHEMBL25515258

SCHEMBL25515258

CC(=O)c1ncc(C)nc1N1CCC2(CCC[C@H]2NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.36
SKP1 P63208 2/20 0.36
SKP2 Q13309 2/20 0.36
BTK Q06187 3/20 0.36
JAK3 P52333 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
KIF18A Q8NI77 3/20 0.34
MAP4K4 O95819 2/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PDE10A Q9Y233 3/20 0.33
HSD11B1 P28845 1/20 0.33
CCR1 P32246 1/20 0.31
JAK1 P23458 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL21115120 0.93 CKS1B (0.38) CKS1BSKP1SKP2BTKJAK3
SCHEMBL21115122 0.93 CKS1B (0.38) CKS1BSKP1SKP2BTKJAK3
SCHEMBL30511956 0.89 OPRK1 (0.36) CKS1BSKP1SKP2BTKJAK3
SCHEMBL19785573 0.89 OPRK1 (0.36) CKS1BSKP1SKP2BTKJAK3
SCHEMBL30296108 0.89 OPRK1 (0.36) CKS1BSKP1SKP2BTKJAK3
SCHEMBL30511930 0.89 OPRK1 (0.36) CKS1BSKP1SKP2BTKJAK3
SCHEMBL30296031 0.87 CKS1B (0.36) CKS1BSKP1SKP2BTKJAK3
SCHEMBL19785570 0.87 CKS1B (0.36) CKS1BSKP1SKP2BTKJAK3
SCHEMBL16925239 0.83 JAK3 (0.39) CKS1BSKP1SKP2BTKJAK3
SCHEMBL29498065 0.83 JAK3 (0.39) CKS1BSKP1SKP2BTKJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-05-30 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 (1 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-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN22, PTPN2 CKS1B 921/4885SKP1 890/4885SKP2 747/4885

“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.