SCHEMBL4459269

SCHEMBL4459269

Cn1cc(C2CNc3ncc([C@H]4CC[C@H](N5CCCC5)CC4)cc32)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HRH3 Q9Y5N1 6/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
LRRK2 Q5S007 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
KDM5C P41229 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
TRPV6 Q9H1D0 1/20 0.30
CSF1R P07333 1/20 0.30

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
SCHEMBL4471248 0.91 MAPK8 (0.53) MAPK8MAPK9MAPK10HRH3CYP3A4
SCHEMBL4458450 0.89 MAPK8 (0.39) MAPK8MAPK9MAPK10HRH3LRRK2
SCHEMBL4467413 0.89 MAPK8 (0.39) MAPK8MAPK9MAPK10HRH3LRRK2
SCHEMBL4465305 0.85 MAPK8 (0.36) MAPK8MAPK9MAPK10LRRK2
SCHEMBL10227428 0.83 GSK3B (0.32) MAPK8MAPK9MAPK10HRH3CYP3A4
SCHEMBL4457547 0.81 MAPK8 (0.30) MAPK8MAPK9MAPK10
SCHEMBL13505447 0.77 ACVR1 (0.35) MAPK8MAPK9MAPK10LRRK2
SCHEMBL4457793 0.76 GSK3B (0.40) MAPK8MAPK9MAPK10HRH3CYP2C9
SCHEMBL13539028 0.74 CHEK1 (0.36) HRH3KDM4AKDM4BKDM5CKDM5B
SCHEMBL10226259 0.73 CSF1R (0.31) CSF1R

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 MAPK8 26/4885MAPK9 20/4885MAPK10 11/4885

“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.