SCHEMBL2752042

SCHEMBL2752042

Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4CCCCCC4)cc23)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
CREBBP Q92793 2/20 0.41
BRD4 O60885 6/20 0.40
MAPK8 P45983 4/20 0.39
TTK P33981 2/20 0.39
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
HTR6 P50406 3/20 0.38
TYRO3 Q06418 1/20 0.38
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
CHEK1 O14757 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL2752053 1.00 PDPK1 (0.43) PDPK1CREBBPBRD4MAPK8TTK
SCHEMBL2753753 0.99 PDPK1 (0.43) PDPK1CREBBPBRD4MAPK8TTK
SCHEMBL4402761 0.93 PDPK1 (0.43) PDPK1BRD4MAPK8WNT1GSK3B
SCHEMBL2752466 0.91 PDPK1 (0.42) PDPK1BRD4MAPK8WNT1GSK3B
SCHEMBL2753841 0.91 PDPK1 (0.42) PDPK1BRD4MAPK8WNT1GSK3B
SCHEMBL2752534 0.90 MAPK8 (0.48) PDPK1BRD4MAPK8WNT1GSK3B
SCHEMBL4403821 0.90 MAPK8 (0.48) PDPK1BRD4MAPK8WNT1GSK3B
SCHEMBL2752536 0.90 MAPK8 (0.48) PDPK1BRD4MAPK8WNT1GSK3B
SCHEMBL2753655 0.90 PDPK1 (0.40) PDPK1CREBBPBRD4WNT1GSK3B
SCHEMBL8184050 0.90 PDPK1 (0.41) PDPK1BRD4MAPK8WNT1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 EP disclosed
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-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
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
WO-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO 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 424/4885CREBBP 373/4885BRD4 780/4885

“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.