SCHEMBL25514381

SCHEMBL25514381

Cc1nc(N2CCCCCC2)cnc1Sc1cccc(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 19/20 0.59
KCNH2 Q12809 3/20 0.59
MAPK3 P27361 1/20 0.48
MAPK1 P28482 1/20 0.48
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL29041457 0.89 PTPN11 (0.58) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785053 0.89 PTPN11 (0.53) PTPN11KCNH2MAPK3MAPK1
SCHEMBL25514374 0.88 PTPN11 (0.56) PTPN11KCNH2
SCHEMBL19785339 0.88 PTPN11 (0.59) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785564 0.87 PTPN11 (0.63) PTPN11KCNH2
SCHEMBL21154818 0.87 PTPN11 (0.67) PTPN11KCNH2MAPK3MAPK1
SCHEMBL21233011 0.86 PTPN11 (0.74) PTPN11KCNH2
SCHEMBL19785241 0.85 PTPN11 (0.81) PTPN11KCNH2MAPK3MAPK1
SCHEMBL21115063 0.84 PTPN11 (0.63) PTPN11KCNH2MAPK3MAPK1
SCHEMBL30295958 0.84 PTPN11 (0.63) PTPN11KCNH2MAPK3MAPK1

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 2485/4885MAPK3 273/4885

“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.