SCHEMBL4466625

SCHEMBL4466625

CC(C)N[C@H]1CC[C@H](c2cnc3c(c2)C(c2cnn(C)c2)CN3S)CC1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
USP30 Q70CQ3 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
HRH2 P25021 1/20 0.31
SPR P35270 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL4466252 0.86 CREBBP (0.39) HRH1HRH4HRH3KDRHRH2
SCHEMBL10226272 0.82 GSK3B (0.32) HRH3
SCHEMBL4457016 0.81 CREBBP (0.33) SPR
SCHEMBL13463082 0.79 CREBBP (0.34) HRH1HRH4HRH3HRH2
SCHEMBL4482885 0.79 MAPK8 (0.50) HRH3MAPK8MAPK9MAPK10
SCHEMBL4484609 0.79 MAPK8 (0.50) HRH3MAPK8MAPK9MAPK10
SCHEMBL4468035 0.78 MAPK8 (0.50) HRH3MAPK8MAPK9MAPK10
SCHEMBL13463125 0.78 CREBBP (0.33)
SCHEMBL13463059 0.77 MAPK8 (0.53) HRH3FGFR3KDRFLT3MAPK8
SCHEMBL4469558 0.74 DRD3 (0.31)

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 HRH1 2782/4885HRH4 3442/4885HRH3 2909/4885

“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.