SCHEMBL4459943

SCHEMBL4459943

Sn1cc(-c2cnn(CCN3CCOCC3)c2)c2cc(C3=CCCC3)cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CYP11B2 P19099 1/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPK1 P28482 1/20 0.38
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
SYK P43405 1/20 0.35
MAP4K4 O95819 1/20 0.35
FGFR1 P11362 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34

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
SCHEMBL2753130 0.82 PIK3CA (0.48) CNR2PIM1PIM3PIM2CYP11B2
SCHEMBL2752110 0.81 PIK3CD (0.56) PIM1PIM3PIM2PIK3CDPIK3CA
SCHEMBL4471983 0.81 PSMB5 (0.39) CNR2PIM1MAP4K4
SCHEMBL4462681 0.79 PIM1 (0.41) PIM1PIM3PIM2CYP11B2PIK3CD
SCHEMBL4472998 0.78 PSMB5 (0.44) PIM1MAP4K4
SCHEMBL4458424 0.77 PSMB5 (0.43) PIM1
SCHEMBL4454293 0.72 MAPK8 (0.43) PIK3CD
SCHEMBL4459004 0.71 PIK3CD (0.38) PIK3CDMKNK1
SCHEMBL4457136 0.71 MAPK8 (0.46) PIK3CD
SCHEMBL4458083 0.68 CREBBP (0.34) PIK3CA

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 CNR2 1682/4885PIM1 2102/4885PIM3 1987/4885

“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.