SCHEMBL1799502

SCHEMBL1799502

CN1CCC(c2nc(-c3c(C4=CCCC4)n(S(=O)(=O)c4ccccc4)c4ncccc34)cs2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
LATS1 O95835 1/20 0.33
DRD3 P35462 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
FAAH O00519 1/20 0.31
F2RL3 Q96RI0 1/20 0.31
HTR2B P41595 1/20 0.30
FFAR2 O15552 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
SCHEMBL1798576 0.79 PTGDR2 (0.43) PTGDR2LATS1
SCHEMBL1799499 0.78 HTR6 (0.37) HTR6DRD3HRH3
SCHEMBL2752315 0.74 PTGDR2 (0.40) HTR6PTGDR2LATS1CYP2C19FFAR2
SCHEMBL1799497 0.74 BRD4 (0.37) HTR6DRD3SMN1; SMN2HRH3FFAR2
SCHEMBL8172065 0.73 BRD4 (0.37) HTR6DRD3SMN1; SMN2HRH3FFAR2
SCHEMBL12652518 0.68 HTR6 (0.37) HTR6DRD3SMN1; SMN2HRH3HTR2A
SCHEMBL1801781 0.66 PTGDR2 (0.39) PTGDR2LATS1CYP2C19
SCHEMBL1799069 0.65 HTR6 (0.38) HTR6DRD3CYP3A4HRH3HTR2A
SCHEMBL8174907 0.65 HTR6 (0.39) HTR6DRD3CYP3A4HRH3HTR2A
SCHEMBL1800049 0.65 HTR6 (0.39) HTR6DRD3CYP3A4SMN1; SMN2HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
EP-2125801-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO 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-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 HTR6 2021/4885PTGDR2 2440/4885LATS1 1198/4885

“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.