SCHEMBL21154460

SCHEMBL21154460

CCC1(C)CCN(c2nc(C)c(-c3cccc(Cl)c3Cl)nc2CO)CC1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 20/20 0.80
KCNH2 Q12809 4/20 0.65
EGFR P00533 1/20 0.65
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL21154316 0.91 PTPN11 (0.81) PTPN11KCNH2EGFR
SCHEMBL25514319 0.91 PTPN11 (0.84) PTPN11KCNH2EGFRMAPK3MAPK1
SCHEMBL23083714 0.90 PTPN11 (0.76) PTPN11KCNH2EGFRMAPK3MAPK1
SCHEMBL25514482 0.90 PTPN11 (0.76) PTPN11KCNH2EGFRMAPK3MAPK1
SCHEMBL23083932 0.89 PTPN11 (0.75) PTPN11KCNH2EGFR
SCHEMBL23083707 0.89 PTPN11 (0.75) PTPN11KCNH2EGFRMAPK3MAPK1
SCHEMBL23083765 0.89 PTPN11 (0.75) PTPN11KCNH2EGFR
SCHEMBL23083704 0.89 PTPN11 (0.75) PTPN11KCNH2EGFRMAPK3MAPK1
SCHEMBL24233652 0.89 PTPN11 (0.81) PTPN11KCNH2EGFRMAPK3MAPK1
SCHEMBL19785043 0.89 PTPN11 (1.00) PTPN11KCNH2EGFRMAPK3MAPK1

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 3 patents. 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
WO-2021043077-A1 SUBSTITUTED PYRAZINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-03-11 WO disclosed
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 (2 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 2485/4885EGFR 2069/4885
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 3436/4885EGFR 980/4885

“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.