SCHEMBL21154583

SCHEMBL21154583

Cc1nc(N2CCC3(CC2)COC[C@H]3N)c(CO)nc1-c1ccc2ncn(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 19/20 0.43
EGFR P00533 1/20 0.43
KCNH2 Q12809 1/20 0.43
DYRK1A Q13627 1/20 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
SCHEMBL21154446 0.86 PTPN11 (0.60) PTPN11EGFRKCNH2
SCHEMBL21154955 0.85 PTPN11 (0.45) PTPN11EGFRKCNH2
SCHEMBL23186817 0.82 PTPN11 (0.41) PTPN11EGFRKCNH2DYRK1A
SCHEMBL24233718 0.80 PTPN11 (0.49) PTPN11EGFRKCNH2
SCHEMBL23425259 0.80 PTPN11 (0.43) PTPN11EGFRKCNH2
SCHEMBL24034160 0.76 DYRK1A (0.41) PTPN11DYRK1A
SCHEMBL30040583 0.76 DYRK1A (0.41) PTPN11DYRK1A
SCHEMBL21154421 0.75 PTPN11 (0.60) PTPN11EGFRKCNH2
SCHEMBL21154402 0.75 PTPN11 (0.74) PTPN11EGFRKCNH2
SCHEMBL21154224 0.74 PTPN11 (0.59) PTPN11EGFRKCNH2

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 12/4885EGFR 980/4885KCNH2 3436/4885

“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.