SCHEMBL19785461

SCHEMBL19785461

CC(=O)c1nc(-c2cccc(Cl)c2Cl)c(C)nc1N1CCC2(CCC[C@H]2NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 15/20 0.46
EGFR P00533 1/20 0.44
KCNH2 Q12809 1/20 0.44
DRD2 P14416 4/20 0.41
DRD3 P35462 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL30455526 1.00 PTPN11 (0.46) PTPN11EGFRKCNH2DRD2DRD3
SCHEMBL30295864 1.00 PTPN11 (0.46) PTPN11EGFRKCNH2DRD2DRD3
SCHEMBL19785244 0.94 PTPN11 (0.45) PTPN11EGFRKCNH2DRD2DRD3
SCHEMBL21115104 0.94 PTPN11 (0.45) PTPN11EGFRKCNH2DRD2DRD3
SCHEMBL30295990 0.94 PTPN11 (0.45) PTPN11EGFRKCNH2DRD2DRD3
SCHEMBL21154833 0.93 PTPN11 (0.50) PTPN11EGFRKCNH2DRD2
SCHEMBL30296095 0.93 PTPN11 (0.46) PTPN11EGFRKCNH2DRD2DRD3
SCHEMBL21115220 0.93 PTPN11 (0.46) PTPN11EGFRKCNH2DRD2DRD3
SCHEMBL19785539 0.93 PTPN11 (0.46) PTPN11EGFRKCNH2DRD2DRD3
SCHEMBL25515082 0.92 PTPN11 (0.47) PTPN11EGFRKCNH2DRD2DRD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 EP disclosed
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
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
US-20210101870-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 2021-04-08 US 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
WO-2018013597-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-01-18 WO 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 (3 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 8/4885EGFR 2069/4885KCNH2 2485/4885
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 12/4885EGFR 980/4885KCNH2 3436/4885
US-20210101870-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN22, PTPN2 PTPN11 8/4885EGFR 2069/4885KCNH2 2485/4885

“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.