SCHEMBL25514654

SCHEMBL25514654

Cc1nc(N2CCC3(CCC[C@H]3C)CC2)c(CO)nc1-c1cccc(C(F)(F)F)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 10/20 0.46
KCNH2 Q12809 2/20 0.46
EGFR P00533 1/20 0.46
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KHK P50053 8/20 0.35

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
SCHEMBL21154318 0.91 PTPN11 (0.48) PTPN11KCNH2EGFR
SCHEMBL25514656 0.89 PTPN11 (0.49) PTPN11KCNH2EGFR
SCHEMBL25514653 0.88 PTPN11 (0.56) PTPN11KCNH2EGFR
SCHEMBL25514680 0.88 PTPN11 (0.56) PTPN11KCNH2EGFR
SCHEMBL25514665 0.83 PTPN11 (0.43) PTPN11KCNH2EGFR
SCHEMBL25514625 0.81 PTPN11 (0.47) PTPN11KCNH2EGFR
SCHEMBL25514498 0.81 PTPN11 (0.52) PTPN11KCNH2EGFR
SCHEMBL21154432 0.80 PTPN11 (0.51) PTPN11KCNH2EGFR
SCHEMBL25514579 0.80 PTPN11 (0.58) PTPN11KCNH2EGFR
SCHEMBL25514731 0.80 PTPN11 (0.51) 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.