SCHEMBL21115228

SCHEMBL21115228

Cc1nc(N2CCC(C)(N(C(=O)O)C(C)(C)C)CC2)c(CO)nc1-c1cc(Cl)c2cc[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.42
EGFR P00533 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.32
AKT1 P31749 5/20 0.31
AKT2 P31751 5/20 0.31
ROCK2 O75116 3/20 0.30
AKT3 Q9Y243 3/20 0.30
PRKD3 O94806 2/20 0.30
LATS1 O95835 2/20 0.30
PRKCB P05771 2/20 0.30
RET P07949 2/20 0.30
FGFR1 P11362 2/20 0.30
PRKCA P17252 2/20 0.30
PRKACA P17612 2/20 0.30
PRKACB P22694 2/20 0.30
GRK2 P25098 2/20 0.30
CLK1 P49759 2/20 0.30
LIMK1 P53667 2/20 0.30
LIMK2 P53671 2/20 0.30

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
SCHEMBL25514789 0.86 PTPN11 (0.48) PTPN11EGFRKCNH2SCN10AAKT1
SCHEMBL21115090 0.85 PTPN11 (0.44) PTPN11EGFRKCNH2SCN10AAKT1
SCHEMBL19785584 0.84 PTPN11 (0.58) PTPN11EGFRKCNH2AKT1AKT2
SCHEMBL29041455 0.83 PTPN11 (0.45) PTPN11EGFRKCNH2SCN10AAKT1
SCHEMBL19785571 0.82 PTPN11 (0.40) PTPN11EGFRKCNH2SCN10AAKT1
SCHEMBL30511922 0.82 PTPN11 (0.40) PTPN11EGFRKCNH2SCN10AAKT1
SCHEMBL21154399 0.71 PTPN11 (0.56) PTPN11EGFRKCNH2
SCHEMBL25514545 0.70 PTPN11 (0.45) PTPN11EGFRKCNH2
SCHEMBL21154759 0.68 PTPN11 (0.55) PTPN11EGFRKCNH2
SCHEMBL24233623 0.67 PTPN11 (0.39) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565476-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2026-03-03 US disclosed
US-20240116878-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 2024-04-11 US disclosed
EP-4302834-A2 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2024-01-10 EP disclosed
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-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-10590090-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2020-03-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-10590090-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-20240116878-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-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
US-12565476-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN6, PTPN2 PTPN11 6/4885EGFR 361/4885KCNH2 1681/4885

“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.