SCHEMBL21154817

SCHEMBL21154817

CC1(CN)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(O)n2)CC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.79
KCNH2 Q12809 3/20 0.79
MAPK3 P27361 1/20 0.61
MAPK1 P28482 1/20 0.61

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
SCHEMBL16926927 0.88 PTPN11 (1.00) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785322 0.88 PTPN11 (0.81) PTPN11KCNH2MAPK3MAPK1
SCHEMBL29677133 0.88 PTPN11 (1.00) PTPN11KCNH2MAPK3MAPK1
SCHEMBL30295936 0.88 PTPN11 (0.81) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785041 0.88 PTPN11 (0.78) PTPN11KCNH2MAPK3MAPK1
SCHEMBL25514325 0.88 PTPN11 (0.66) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785343 0.85 PTPN11 (0.75) PTPN11KCNH2MAPK3MAPK1
SCHEMBL30295863 0.83 PTPN11 (0.72) PTPN11KCNH2MAPK3MAPK1
SCHEMBL29910352 0.81 PTPN11 (0.71) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19641090 0.81 PTPN11 (0.71) 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-20190210977-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2019-07-11 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-20190210977-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN22 PTPN11 12/4885KCNH2 3436/4885MAPK3 333/4885

“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.