SCHEMBL2277448

SCHEMBL2277448

Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4C=CCCC4)nc23)cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
BRD4 O60885 5/20 0.34
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
TYRO3 Q06418 2/20 0.33
TTK P33981 1/20 0.33
MAPK8 P45983 1/20 0.33
CHEK1 O14757 4/20 0.33
CCNA1 P78396 2/20 0.32
AXL P30530 2/20 0.32
MERTK Q12866 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
GRM2 Q14416 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL2277440 0.93 PDPK1 (0.37) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2277123 0.84 TYRO3 (0.39) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2750991 0.81 PDPK1 (0.39) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2277128 0.80 MAPK1 (0.43) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2283400 0.78 PDPK1 (0.42) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2277438 0.78 PDPK1 (0.38) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2754328 0.77 PDPK1 (0.41) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2276143 0.76 MAPK8 (0.44) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL2276141 0.76 MAPK8 (0.44) PDPK1WNT1GSK3BDYRK1ABRD4
SCHEMBL7933891 0.76 MAPK8 (0.44) PDPK1WNT1GSK3BDYRK1ABRD4

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-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 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-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE DAPK1, DAPK2, DAPK3 PDPK1 115/4885WNT1 2535/4885GSK3B 538/4885

“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.