SCHEMBL21154794

SCHEMBL21154794

CNC1(C)CCN(c2nc(C)c(-c3ccc4[nH]ccc4c3)nc2CO)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.42
CSNK1D P48730 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
KCNH2 Q12809 2/20 0.35
EGFR P00533 1/20 0.35
EPHX1 P07099 1/20 0.35
CYP2D6 P10635 1/20 0.35
EPHX2 P34913 1/20 0.35
BRD4 O60885 1/20 0.34
FYN P06241 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
FASN P49327 1/20 0.33
CREBBP Q92793 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM1 Q13255 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33

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
SCHEMBL25514545 0.90 PTPN11 (0.45) PTPN11CSNK1DMAPK11MAPK14KCNH2
SCHEMBL21154759 0.89 PTPN11 (0.55) PTPN11CSNK1DMAPK11MAPK14KCNH2
SCHEMBL23425145 0.83 PTPN11 (0.43) PTPN11CSNK1DMAPK11MAPK14KCNH2
SCHEMBL24233654 0.83 PTPN11 (0.39) PTPN11CSNK1DMAPK11MAPK14KCNH2
SCHEMBL25514526 0.82 PTPN11 (0.41) PTPN11CSNK1DMAPK11MAPK14KCNH2
SCHEMBL21154399 0.82 PTPN11 (0.56) PTPN11KCNH2EGFRBRD4PIK3CA
SCHEMBL23186799 0.81 PTPN11 (0.44) PTPN11CSNK1DMAPK11MAPK14KCNH2
SCHEMBL24233623 0.76 PTPN11 (0.39) PTPN11KCNH2EGFRBRD4CREBBP
SCHEMBL25514515 0.75 PTPN11 (0.41) PTPN11KCNH2EGFRBRD4FASN
SCHEMBL23186778 0.75 PTPN11 (0.44) 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-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 12/4885CSNK1D 961/4885MAPK11 358/4885

“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.