SCHEMBL25514515

SCHEMBL25514515

Cc1nc(N2CCC3(CCC[C@H]3C)CC2)c(CO)nc1-c1ccc2cc[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 9/20 0.41
EGFR P00533 2/20 0.41
KCNH2 Q12809 1/20 0.41
BRD4 O60885 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
BACE1 P56817 1/20 0.33
MERTK Q12866 1/20 0.33
RIPK2 O43353 1/20 0.33
FASN P49327 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIK3CD O00329 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
SCHEMBL25514526 0.94 PTPN11 (0.41) PTPN11EGFRKCNH2BRD4FASN
SCHEMBL23186778 0.90 PTPN11 (0.44) PTPN11EGFRKCNH2
SCHEMBL25514784 0.88 PTPN11 (0.39) PTPN11EGFRKCNH2BRD4PIK3CA
SCHEMBL25514750 0.88 PTPN11 (0.45) PTPN11EGFRKCNH2PIK3CAMTOR
SCHEMBL23186799 0.84 PTPN11 (0.44) PTPN11EGFRKCNH2
SCHEMBL25514890 0.83 PTPN11 (0.42) PTPN11EGFRKCNH2KDM4EALDH1A1
SCHEMBL25514758 0.83 PTPN11 (0.40) PTPN11EGFRKCNH2SMPD3
SCHEMBL21154399 0.83 PTPN11 (0.56) PTPN11EGFRKCNH2BRD4RIPK2
SCHEMBL25514669 0.83 PTPN11 (0.43) PTPN11EGFRKCNH2
SCHEMBL25514763 0.82 PTPN11 (0.39) 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.