SCHEMBL4472998

SCHEMBL4472998

Cn1cc(-c2cn(S)c3ncc(C4=CCCCC4)cc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.44
KDR P35968 2/20 0.40
AXL P30530 2/20 0.36
MERTK Q12866 1/20 0.36
BRD4 O60885 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ALK Q9UM73 5/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
AURKA O14965 2/20 0.32
AURKB Q96GD4 2/20 0.32
INCENP Q9NQS7 2/20 0.32
TPX2 Q9ULW0 2/20 0.32
PIM1 P11309 1/20 0.32
MAP4K4 O95819 1/20 0.31
CREBBP Q92793 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
SCHEMBL4458424 0.99 PSMB5 (0.43) PSMB5KDRAXLMERTKBRD4
SCHEMBL4471983 0.97 PSMB5 (0.39) PSMB5KDRAXLMERTKBRD4
SCHEMBL10227696 0.82 LRRK2 (0.33) BRD4LRRK2ALKAURKAAURKB
SCHEMBL4458083 0.81 CREBBP (0.34) AXLMERTKBRD4LRRK2ALK
SCHEMBL4471182 0.81 PTPN11 (0.34) AXLMERTKBRD4LRRK2ALK
SCHEMBL4455992 0.81 ACVR1 (0.33) AXLMERTKBRD4LRRK2ALK
SCHEMBL12406847 0.81 PSMB5 (0.43) PSMB5KDRAXLMERTKPDGFRB
SCHEMBL4460326 0.81 LRRK2 (0.37) AXLMERTKBRD4LRRK2ALK
SCHEMBL4465989 0.79 CREBBP (0.36) AXLMERTKBRD4LRRK2CREBBP
SCHEMBL10227411 0.79 ALK (0.34) AXLMERTKALK

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 PSMB5 2250/4885KDR 4440/4885AXL 4101/4885

“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.