SCHEMBL21154411

SCHEMBL21154411

Cc1nc(Cl)cnc1-c1ncc(N2CCC3(CC2)CC(C)C[C@H]3N)nc1C

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.46

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
SCHEMBL21154409 0.82 PTPN11 (0.57) PTPN11
SCHEMBL25514582 0.79 PTPN11 (0.43) PTPN11
SCHEMBL21154319 0.78 PTPN11 (0.55) PTPN11
SCHEMBL25514613 0.77 PTPN11 (0.42) PTPN11
SCHEMBL21154760 0.75 PTPN11 (0.38) PTPN11
SCHEMBL16925076 0.70 PTPN11 (0.82) PTPN11
SCHEMBL29677040 0.70 PTPN11 (0.82) PTPN11
SCHEMBL22086207 0.70 PTPN11 (0.71) PTPN11
SCHEMBL16925052 0.70 PTPN11 (0.82) PTPN11
SCHEMBL20382829 0.69 PTPN11 (0.81) PTPN11

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 12/4885

“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.