SCHEMBL25514446

SCHEMBL25514446

CCC1(C)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(C#N)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 19/20 0.63
KCNH2 Q12809 3/20 0.63
MAPK3 P27361 1/20 0.58
MAPK1 P28482 1/20 0.58
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL19785343 0.92 PTPN11 (0.75) PTPN11KCNH2MAPK3MAPK1
SCHEMBL25514292 0.91 PTPN11 (0.61) PTPN11KCNH2MAPK3MAPK1
SCHEMBL21115061 0.89 PTPN11 (0.74) PTPN11KCNH2MAPK3MAPK1
SCHEMBL30295901 0.89 PTPN11 (0.74) PTPN11KCNH2MAPK3MAPK1
SCHEMBL19785430 0.85 PTPN11 (0.54) PTPN11KCNH2MAPK3MAPK1
SCHEMBL25514297 0.85 PTPN11 (0.67) PTPN11KCNH2MAPK3MAPK1
SCHEMBL30295863 0.84 PTPN11 (0.72) PTPN11KCNH2MAPK3MAPK1
SCHEMBL21115035 0.83 HDAC3 (0.59) PTPN11KCNH2MAPK3MAPK1HDAC3
SCHEMBL29041419 0.82 PTPN11 (0.55) PTPN11KCNH2MAPK3MAPK1HDAC3
SCHEMBL23425228 0.82 PTPN11 (0.56) 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 1 patent. 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

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-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

“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.