SCHEMBL4457793

SCHEMBL4457793

COCCN[C@H]1CC[C@H](c2cnc3c(c2)C(c2cnn(C)c2)CN3)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
HTR1A P08908 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
SMYD3 Q9H7B4 2/20 0.33
CSF1R P07333 1/20 0.33
SSTR1 P30872 1/20 0.32
SSTR4 P31391 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
CCNK O75909 1/20 0.31
CDK9 P50750 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C9 P11712 1/20 0.31
FGFR1 P11362 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
SCHEMBL4456448 0.80 CSF1R (0.31) CSF1RSSTR1SSTR4
SCHEMBL10227428 0.78 GSK3B (0.32) GSK3BDYRK1ACSF1RSSTR1SSTR4
SCHEMBL4457547 0.77 MAPK8 (0.30) MAPK8MAPK9MAPK10
SCHEMBL4459269 0.76 MAPK8 (0.44) CSF1RHRH3CYP2C9LRRK2MAPK8
SCHEMBL10226259 0.75 CSF1R (0.31) CSF1RSSTR1SSTR4
SCHEMBL4467185 0.75 CSF1R (0.31) CSF1RSSTR1SSTR4
SCHEMBL4471248 0.74 MAPK8 (0.53) GSK3BDYRK1AIRAK4HRH3CYP2C9
SCHEMBL4458450 0.72 MAPK8 (0.39) TLR9TLR8TLR7HRH3LRRK2
SCHEMBL4408675 0.72 MAPK8 (0.60) GSK3BDYRK1AMAPK8MAPK9MAPK10
SCHEMBL2751514 0.72 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 976/4885HTR1A 2190/4885

“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.