SCHEMBL19785432

SCHEMBL19785432

COC(=O)c1nc(N2CCC3(CCCC3)CC2)cnc1-c1cccc(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 15/20 0.55
KCNH2 Q12809 2/20 0.53
MAPK3 P27361 1/20 0.53
MAPK1 P28482 1/20 0.53
HDAC3 O15379 5/20 0.51
HDAC4 P56524 5/20 0.51
HDAC1 Q13547 5/20 0.51
HDAC7 Q8WUI4 5/20 0.51
HDAC2 Q92769 5/20 0.51
HDAC10 Q969S8 5/20 0.51
HDAC11 Q96DB2 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC9 Q9UKV0 5/20 0.51
HDAC5 Q9UQL6 5/20 0.51

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
SCHEMBL25514606 0.87 PTPN11 (0.57) PTPN11KCNH2MAPK3MAPK1HDAC3
SCHEMBL19785433 0.86 PTPN11 (0.70) PTPN11KCNH2
SCHEMBL19785514 0.82 PTPN11 (0.60) PTPN11KCNH2MAPK3MAPK1
SCHEMBL21115215 0.80 PTPN11 (0.52) PTPN11KCNH2MAPK3MAPK1HDAC3
SCHEMBL21115219 0.80 PTPN11 (0.52) PTPN11KCNH2MAPK3MAPK1HDAC3
SCHEMBL23425230 0.80 PTPN11 (0.55) PTPN11KCNH2
SCHEMBL19785431 0.80 PTPN11 (0.57) PTPN11KCNH2MAPK3MAPK1
SCHEMBL20388767 0.80 PTPN11 (0.76) PTPN11KCNH2MAPK3MAPK1
SCHEMBL16925395 0.78 PTPN11 (0.76) PTPN11KCNH2MAPK3MAPK1
SCHEMBL30634466 0.78 PTPN11 (0.72) PTPN11KCNH2MAPK3MAPK1

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 5 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-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 8/4885KCNH2 2485/4885MAPK3 273/4885
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 3436/4885MAPK3 333/4885
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 8/4885KCNH2 2485/4885MAPK3 273/4885

“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.