SCHEMBL25514358

SCHEMBL25514358

Cc1nc(N2CCC(C)(C)CC2)cnc1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 12/20 0.51
CNR1 P21554 6/20 0.47
KCNH2 Q12809 2/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KIT P10721 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
SCHEMBL19785562 0.90 PTPN11 (0.65) PTPN11CNR1KCNH2MAPK3MAPK1
SCHEMBL25514610 0.88 PTPN11 (0.47) PTPN11CNR1KCNH2MAPK3MAPK1
SCHEMBL25514611 0.86 PTPN11 (0.51) PTPN11CNR1KCNH2MAPK3MAPK1
SCHEMBL25514363 0.85 PTPN11 (0.41) PTPN11CNR1KCNH2MAPK3MAPK1
SCHEMBL25514613 0.82 PTPN11 (0.42) PTPN11KCNH2MAPK3MAPK1KDM4E
SCHEMBL21154427 0.80 PTPN11 (0.59) PTPN11KCNH2MAPK3MAPK1
SCHEMBL25514349 0.80 PTPN11 (0.53) PTPN11CNR1KCNH2MAPK3MAPK1
SCHEMBL23425267 0.78 PTPN11 (0.43) PTPN11CNR1KCNH2MAPK3MAPK1
SCHEMBL19651432 0.78 PTPN11 (0.55) PTPN11
SCHEMBL25514287 0.78 PTPN11 (0.65) 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 8/4885CNR1 4035/4885KCNH2 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.