SCHEMBL3259852

SCHEMBL3259852

COc1ccc(Nc2nc(N[C@H]3CC[C@H](CNS(C)(=O)=O)CC3)c3nc[nH]c3n2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
TTK P33981 7/20 0.44
PTK2 Q05397 1/20 0.42
CNR1 P21554 1/20 0.42
NPY5R Q15761 2/20 0.42
CRHR1 P34998 1/20 0.41
PDGFRA P16234 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
LRRK2 Q5S007 1/20 0.39
MERTK Q12866 2/20 0.39
ZAP70 P43403 1/20 0.39
AXL P30530 1/20 0.39
GAA P10253 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
GAS6 Q14393 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
SCHEMBL4976944 1.00 CNR2 (0.44) CNR2TTKPTK2CNR1NPY5R
SCHEMBL3259857 1.00 CNR2 (0.44) CNR2TTKPTK2CNR1NPY5R
SCHEMBL4765090 0.86 TTK (0.46) TTKCRHR1PDGFRACCNE1CDK2
SCHEMBL4974279 0.85 NQO2 (0.41) CNR2TTKCNR1CRHR1PDGFRA
SCHEMBL4766022 0.84 TTK (0.52) TTKPTK2MERTKAXLGAA
SCHEMBL4766150 0.83 TTK (0.54) TTKPTK2MERTKAXLGAA
SCHEMBL4766125 0.82 TTK (0.51) TTKPTK2LRRK2GAA
SCHEMBL2954902 0.77 TTK (0.45) TTKPTK2LRRK2MERTKAXL
SCHEMBL4766351 0.77 TTK (0.45) TTKPTK2LRRK2MERTKAXL
SCHEMBL4766346 0.77 GAA (0.43) TTKPTK2LRRK2MERTKZAP70

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 CNR2 1449/4885TTK 4589/4885PTK2 1294/4885

“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.