SCHEMBL16633041

SCHEMBL16633041

C[Si](C)(C)C#Cc1cnc2c(Nc3ccc(S(C)(=O)=O)cc3)cncn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.36
JAK3 P52333 4/20 0.36
PTK2 Q05397 4/20 0.36
IDO1 P14902 2/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
PTGS2 P35354 2/20 0.33
RIPK2 O43353 1/20 0.33
ACVR1 Q04771 1/20 0.33
NOD2 Q9HC29 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
KCNH2 Q12809 2/20 0.32
TDO2 P48775 1/20 0.32
CDK1 P06493 3/20 0.32
CCNB1 P14635 3/20 0.32
CDK5 Q00535 3/20 0.32
CDK5R1 Q15078 3/20 0.32
CDK2 P24941 3/20 0.32

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
SCHEMBL588537 0.86 JAK2 (0.43) JAK2JAK3PTK2AURKAAURKB
SCHEMBL588672 0.70 JAK2 (0.45) JAK2JAK3PTK2AURKAAURKB
SCHEMBL9609624 0.69 KDM4E (0.39) PTGS2CDK2CCNE1CDK4
SCHEMBL23808083 0.65 JAK2 (0.46) JAK2JAK3PTK2AURKAAURKB
SCHEMBL710011 0.62 LOX (0.46) PTGS2
SCHEMBL15510901 0.61 AOC3 (0.41) IDO1
SCHEMBL25667539 0.61 ENPP2 (0.54) JAK2JAK3PTK2GSK3BPIP4K2C
SCHEMBL31219550 0.61 FYN (0.45) AURKAAURKBGSK3AGSK3BKCNH2
SCHEMBL9609620 0.61 TTK (0.43) AURKAAURKBFLT3CDK1
SCHEMBL8328694 0.60 PIP4K2C (0.46) GSK3BPIP4K2CPIP4K2A

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-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases ARIAD PHARMACEUTICALS, INC. 2015-04-16 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-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS JAK2 116/4885JAK3 257/4885PTK2 407/4885

“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.