SCHEMBL25514731

SCHEMBL25514731

Cc1nc(N2CCC3(CCC[C@H]3C)CC2)c(CO)nc1-c1cccc(Br)c1Br

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.51
KCNH2 Q12809 2/20 0.51
EGFR P00533 1/20 0.51

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
SCHEMBL21154317 0.90 PTPN11 (0.54) PTPN11KCNH2EGFR
SCHEMBL25514316 0.85 PTPN11 (0.70) PTPN11KCNH2EGFR
SCHEMBL25514702 0.85 PTPN11 (0.50) PTPN11KCNH2EGFR
SCHEMBL25514783 0.84 PTPN11 (0.59) PTPN11KCNH2EGFR
SCHEMBL25514729 0.84 PTPN11 (0.59) PTPN11KCNH2EGFR
SCHEMBL25514553 0.84 PTPN11 (0.45) PTPN11KCNH2EGFR
SCHEMBL25514429 0.84 PTPN11 (0.50) PTPN11KCNH2EGFR
SCHEMBL25514579 0.84 PTPN11 (0.58) PTPN11KCNH2EGFR
SCHEMBL25514688 0.83 PTPN11 (0.57) PTPN11KCNH2EGFR
SCHEMBL25514674 0.83 PTPN11 (0.57) PTPN11KCNH2EGFR

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 8/4885KCNH2 2485/4885EGFR 2069/4885

“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.