SCHEMBL4457880

SCHEMBL4457880

Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(CC4CCC=CC4(C)C)cc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.38
BRD4 O60885 7/20 0.37
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
MET P08581 5/20 0.34
HTR6 P50406 2/20 0.34
PTPN11 Q06124 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
LOXL2 Q9Y4K0 1/20 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
SCHEMBL3348264 0.82 BRD4 (0.44) PDPK1BRD4WNT1GSK3BDYRK1A
SCHEMBL3346632 0.80 PDPK1 (0.45) PDPK1BRD4METHTR6
SCHEMBL3352661 0.78 PDPK1 (0.43) PDPK1BRD4METHTR6PTPN11
SCHEMBL2754328 0.77 PDPK1 (0.41) PDPK1BRD4WNT1GSK3BDYRK1A
SCHEMBL3355608 0.76 PDPK1 (0.42) PDPK1BRD4WNT1GSK3BDYRK1A
SCHEMBL2750994 0.76 PDPK1 (0.54) PDPK1BRD4METHTR6PTPN11
SCHEMBL3354967 0.76 PDPK1 (0.40) PDPK1BRD4METHTR6PTPN11
SCHEMBL4403799 0.75 PDPK1 (0.43) PDPK1BRD4WNT1GSK3BDYRK1A
SCHEMBL8192188 0.75 PDPK1 (0.47) PDPK1BRD4WNT1GSK3BDYRK1A
SCHEMBL2752683 0.75 PDPK1 (0.47) PDPK1BRD4WNT1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 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-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 PDPK1 424/4885BRD4 780/4885WNT1 1637/4885

“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.