SCHEMBL25514352

SCHEMBL25514352

Cc1nc(N2CCC(C)(C)CC2)cnc1-c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 18/20 0.53
MAPK3 P27361 4/20 0.43
MAPK1 P28482 4/20 0.43
KCNH2 Q12809 2/20 0.43
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.38

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
SCHEMBL30296115 0.90 PTPN11 (0.65) PTPN11MAPK3MAPK1KCNH2
SCHEMBL25514353 0.90 PTPN11 (0.65) PTPN11MAPK3MAPK1KCNH2
SCHEMBL19785338 0.90 PTPN11 (0.65) PTPN11MAPK3MAPK1KCNH2
SCHEMBL25514349 0.85 PTPN11 (0.53) PTPN11MAPK3MAPK1KCNH2
SCHEMBL19785254 0.81 PTPN11 (0.80) PTPN11MAPK3MAPK1KCNH2
SCHEMBL30296123 0.81 PTPN11 (0.80) PTPN11MAPK3MAPK1KCNH2
SCHEMBL25514287 0.81 PTPN11 (0.65) PTPN11MAPK3MAPK1KCNH2
SCHEMBL25514425 0.76 PTPN11 (0.47) PTPN11MAPK3MAPK1KCNH2
SCHEMBL30296136 0.76 PTPN11 (0.65) PTPN11MAPK3MAPK1KCNH2
SCHEMBL19785336 0.76 PTPN11 (0.65) PTPN11MAPK3MAPK1KCNH2

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 8/4885MAPK3 273/4885MAPK1 349/4885

“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.