SCHEMBL25514526

SCHEMBL25514526

Cc1nc(N2CCC3(CCC[C@H]3C)CC2)c(CO)nc1-c1ccc2[nH]ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 8/20 0.41
EGFR P00533 2/20 0.40
KCNH2 Q12809 2/20 0.40
CSNK1D P48730 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
BRD4 O60885 1/20 0.34
FASN P49327 2/20 0.33
ABL1 P00519 2/20 0.33
MTOR P42345 2/20 0.33
PIK3CD O00329 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 1/20 0.33
PRKDC P78527 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL25514515 0.94 PTPN11 (0.41) PTPN11EGFRKCNH2BRD4FASN
SCHEMBL23186799 0.90 PTPN11 (0.44) PTPN11EGFRKCNH2CSNK1DMAPK11
SCHEMBL25514784 0.85 PTPN11 (0.39) PTPN11EGFRKCNH2BRD4MTOR
SCHEMBL25514545 0.85 PTPN11 (0.45) PTPN11EGFRKCNH2CSNK1DMAPK11
SCHEMBL23186778 0.84 PTPN11 (0.44) PTPN11EGFRKCNH2
SCHEMBL25514750 0.83 PTPN11 (0.45) PTPN11EGFRKCNH2ABL1MTOR
SCHEMBL21154759 0.83 PTPN11 (0.55) PTPN11EGFRKCNH2CSNK1DMAPK11
SCHEMBL21154794 0.82 PTPN11 (0.42) PTPN11EGFRKCNH2CSNK1DMAPK11
SCHEMBL25514669 0.82 PTPN11 (0.43) PTPN11EGFRKCNH2
SCHEMBL24233654 0.81 PTPN11 (0.39) PTPN11EGFRKCNH2CSNK1DMAPK11

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 PTPN11 8/4885EGFR 2069/4885KCNH2 2485/4885

“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.