SCHEMBL25514519

SCHEMBL25514519

COc1cnccc1-c1nc(CO)c(N2CCC3(CCC[C@H]3C)CC2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 15/20 0.44
EGFR P00533 1/20 0.44
KCNH2 Q12809 1/20 0.44
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
MELK Q14680 1/20 0.34
DAGLB Q8NCG7 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
NTSR1 P30989 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
SCHEMBL23186777 0.90 PTPN11 (0.52) PTPN11EGFRKCNH2
SCHEMBL25514726 0.84 PTPN11 (0.52) PTPN11EGFRKCNH2
SCHEMBL25514429 0.84 PTPN11 (0.50) PTPN11EGFRKCNH2
SCHEMBL25514688 0.83 PTPN11 (0.57) PTPN11EGFRKCNH2
SCHEMBL25514463 0.83 PTPN11 (0.51) PTPN11EGFRKCNH2
SCHEMBL25514553 0.82 PTPN11 (0.45) PTPN11EGFRKCNH2
SCHEMBL25514469 0.82 PTPN11 (0.48) PTPN11EGFRKCNH2
SCHEMBL25514433 0.81 PTPN11 (0.58) PTPN11EGFRKCNH2
SCHEMBL24233624 0.81 PTPN11 (0.43) PTPN11EGFRKCNH2CHRNB4CHRNA3
SCHEMBL25514635 0.81 PTPN11 (0.45) PTPN11EGFRKCNH2

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.