SCHEMBL4466252

SCHEMBL4466252

Cn1cc(C2CN(S)c3ncc(C4CCCCC4)cc32)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.39
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PSMB5 P28074 1/20 0.33
KDR P35968 1/20 0.32
SPR P35270 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRK1 P41145 1/20 0.31
CCNE1 P24864 1/20 0.30
CDK2 P24941 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
SCHEMBL13463082 0.88 CREBBP (0.34) CREBBPHRH2HRH1HRH4HRH3
SCHEMBL4457016 0.87 CREBBP (0.33) CREBBPSPRCSF1R
SCHEMBL10226272 0.86 GSK3B (0.32) HRH3CSF1R
SCHEMBL13463125 0.86 CREBBP (0.33) CREBBP
SCHEMBL4484609 0.83 MAPK8 (0.50) HRH3
SCHEMBL4482885 0.83 MAPK8 (0.50) HRH3
SCHEMBL13463059 0.81 MAPK8 (0.53) PDGFRBHRH3KDR
SCHEMBL4469558 0.78 DRD3 (0.31)
SCHEMBL4458409 0.76
SCHEMBL4454039 0.75 PDGFRB (0.37) PDGFRBPDGFRAPSMB5KDR

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 CREBBP 373/4885PDGFRB 3268/4885PDGFRA 2536/4885

“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.