SCHEMBL25514784

SCHEMBL25514784

Cc1nc(N2CCC3(CCC[C@H]3C)CC2)c(CO)nc1-c1cnc2cc[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 11/20 0.39
EGFR P00533 1/20 0.39
KCNH2 Q12809 1/20 0.39
LRRK2 Q5S007 1/20 0.37
BRD4 O60885 1/20 0.36
MTOR P42345 3/20 0.35
PIK3CA P42336 1/20 0.35
FAAH O00519 1/20 0.34
RICTOR Q6R327 2/20 0.34
MAPKAP1 Q9BPZ7 2/20 0.34
MLST8 Q9BVC4 2/20 0.34
IDH1 O75874 1/20 0.33
MAP3K12 Q12852 1/20 0.33
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL21154507 0.91 PTPN11 (0.46) PTPN11EGFRKCNH2LRRK2
SCHEMBL25514515 0.88 PTPN11 (0.41) PTPN11EGFRKCNH2BRD4MTOR
SCHEMBL25514526 0.85 PTPN11 (0.41) PTPN11EGFRKCNH2BRD4MTOR
SCHEMBL25514750 0.81 PTPN11 (0.45) PTPN11EGFRKCNH2MTORPIK3CA
SCHEMBL25514639 0.81 PTPN11 (0.44) PTPN11EGFRKCNH2
SCHEMBL25514669 0.80 PTPN11 (0.43) PTPN11EGFRKCNH2LRRK2
SCHEMBL23186778 0.79 PTPN11 (0.44) PTPN11EGFRKCNH2
SCHEMBL25514717 0.77 PTPN11 (0.43) PTPN11EGFRKCNH2PIK3CA
SCHEMBL23186799 0.76 PTPN11 (0.44) PTPN11EGFRKCNH2
SCHEMBL25514652 0.76 PTPN11 (0.40) 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.