SCHEMBL4461172

SCHEMBL4461172

COCCN[C@H]1CC[C@@H](c2cnc3c(c2)c(-c2cnn(C)c2)cn3S)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.46
DYRK1A Q13627 3/20 0.46
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
FGFR1 P11362 4/20 0.37
FGFR2 P21802 2/20 0.35
FGFR4 P22455 2/20 0.35
FGFR3 P22607 2/20 0.35
KDR P35968 2/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
IRAK1 P51617 2/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL4466227 1.00 GSK3B (0.46) GSK3BDYRK1AMAPK8MAPK9MAPK10
SCHEMBL4461073 0.91 MAPK8 (0.39) GSK3BDYRK1AMAPK8MAPK9MAPK10
SCHEMBL4470359 0.91 MAPK8 (0.39) GSK3BDYRK1AMAPK8MAPK9MAPK10
SCHEMBL4470682 0.89 MAPK8 (0.41) GSK3BDYRK1AMAPK8MAPK9MAPK10
SCHEMBL4460620 0.89 MAPK8 (0.41) GSK3BDYRK1AMAPK8MAPK9MAPK10
SCHEMBL4462770 0.88 MAPK8 (0.43) GSK3BDYRK1AMAPK8MAPK9MAPK10
SCHEMBL4459722 0.83 MAPK8 (0.38) GSK3BDYRK1AMAPK8MAPK9MAPK10
SCHEMBL4464350 0.83 MAPK8 (0.38) GSK3BDYRK1AMAPK8MAPK9MAPK10
SCHEMBL2751514 0.82 MAPK8 (0.60) GSK3BDYRK1AMAPK8MAPK9MAPK10
SCHEMBL4408675 0.82 MAPK8 (0.60) GSK3BDYRK1AMAPK8MAPK9MAPK10

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 GSK3B 369/4885DYRK1A 976/4885MAPK8 26/4885

“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.