SCHEMBL19785282

SCHEMBL19785282

Cc1cnc(CO)c(N2CCC3(CC2)C[C@@H](OC2CC2)C[C@H]3NC(=O)OC(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.34
SKP1 P63208 2/20 0.34
SKP2 Q13309 2/20 0.34
PIK3CD O00329 2/20 0.32
KIF18A Q8NI77 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
JAK3 P52333 1/20 0.32
BTK Q06187 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
RET P07949 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
KDM1A O60341 1/20 0.31
NAMPT P43490 4/20 0.31
MMP1 P03956 1/20 0.30

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
SCHEMBL30456336 1.00 CKS1B (0.34) CKS1BSKP1SKP2PIK3CDKIF18A
SCHEMBL21115158 0.90 DGAT1 (0.33) OPRK1
SCHEMBL19785292 0.88 CKS1B (0.34) CKS1BSKP1SKP2PIK3CDKIF18A
SCHEMBL30296031 0.86 CKS1B (0.36) CKS1BSKP1SKP2KIF18AJAK3
SCHEMBL19785570 0.86 CKS1B (0.36) CKS1BSKP1SKP2KIF18AJAK3
SCHEMBL19785283 0.86 KIF18A (0.31) KIF18A
SCHEMBL30511954 0.86 KIF18A (0.31) KIF18A
SCHEMBL30511957 0.80 CKS1B (0.31) CKS1BSKP1SKP2KIF18A
SCHEMBL30455614 0.79 PTPN11 (0.58)
SCHEMBL19785287 0.79 PTPN11 (0.58)

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
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 EP disclosed
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
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
US-20210101870-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-04-08 US disclosed
US-20190210977-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2019-07-11 US disclosed
WO-2018013597-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-01-18 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-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
US-20190210977-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 CKS1B 1039/4885SKP1 1849/4885SKP2 519/4885
US-20210101870-A1 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.