SCHEMBL4453845

SCHEMBL4453845

Cn1cc(C2CN(S(=O)(=O)c3ccccc3)c3ncc(-c4ccoc4)cc32)cn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.33
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
BRD4 O60885 1/20 0.31
KCNH2 Q12809 1/20 0.31
PKM P14618 1/20 0.30
CYP11B1 P15538 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL4457073 0.82 HDAC3 (0.35) WNT1GSK3BDYRK1AKCNH2PKM
SCHEMBL4466284 0.78 POLB (0.32) WNT1GSK3BDYRK1A
SCHEMBL13505776 0.74 DRD3 (0.32) KCNH2
SCHEMBL4457148 0.74 KDM4E (0.36) HTR1AHTR7
SCHEMBL4458088 0.74 MAPK8 (0.34) WNT1GSK3BDYRK1A
SCHEMBL2753498 0.69 PDPK1 (0.49) PDPK1BRD4
SCHEMBL4470192 0.69 PIK3CA (0.38) HDAC4
SCHEMBL13505532 0.69 HTR6 (0.37) CYP11B1HTR7
SCHEMBL4460501 0.67 POLB (0.31)
SCHEMBL13697298 0.66 SMN1; SMN2 (0.40)

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 424/4885WNT1 1637/4885GSK3B 369/4885

“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.