SCHEMBL25514732

SCHEMBL25514732

Cc1nc(N2CCC(C)(C)CC2)c(CO)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.52
EGFR P00533 2/20 0.43
KCNH2 Q12809 1/20 0.43
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
PRKCA P17252 4/20 0.36
PRKCH P24723 4/20 0.36
PRKCE Q02156 4/20 0.36
PRKCQ Q04759 4/20 0.36
PRKCD Q05655 4/20 0.36
PRKCB P05771 3/20 0.36
JAK1 P23458 2/20 0.36
PDGFRB P09619 2/20 0.36
PDPK1 O15530 1/20 0.36
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL21154196 0.92 PTPN11 (0.62) PTPN11EGFRKCNH2ATP4AATP4B
SCHEMBL25514734 0.85 PTPN11 (0.46) PTPN11EGFRKCNH2ATP4AATP4B
SCHEMBL21154300 0.84 PTPN11 (0.47) PTPN11EGFRKCNH2
SCHEMBL25514711 0.77 PTPN11 (0.56) PTPN11EGFRKCNH2
SCHEMBL25514616 0.76 PTPN11 (0.48) PTPN11EGFRKCNH2PRKCQPRKD3
SCHEMBL25514729 0.76 PTPN11 (0.59) PTPN11EGFRKCNH2
SCHEMBL25514319 0.76 PTPN11 (0.84) PTPN11EGFRKCNH2
SCHEMBL25514477 0.76 PTPN11 (0.71) PTPN11EGFRKCNH2
SCHEMBL25514545 0.73 PTPN11 (0.45) PTPN11EGFRKCNH2DYRK3CDK5
SCHEMBL25514479 0.73 PTPN11 (0.64) 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.