SCHEMBL1799236

SCHEMBL1799236

CCN(CC)c1nc(-c2cn(C3C=CCCC3)c3ncccc23)cs1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.36
CCNB1 P14635 6/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.34
CCNB2 O95067 4/20 0.34
CCNB3 Q8WWL7 4/20 0.34
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
UCHL1 P09936 1/20 0.30
CES2 O00748 1/20 0.30
TYR P14679 1/20 0.30
TYK2 P29597 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
SCHEMBL1802880 0.87 CDK1 (0.39) CDK1CCNB1GSK3BDYRK1ACCNB2
SCHEMBL1799952 0.74 SLC2A1 (0.33) CDK1CCNB1GSK3BCCNB2CCNB3
SCHEMBL1802369 0.72 PTGDR2 (0.38) UCHL1
SCHEMBL1802365 0.70 BRD4 (0.35) CDK1CCNB1CCNB2CCNB3UCHL1
SCHEMBL1799233 0.67 CCNT1 (0.36)
SCHEMBL1796421 0.65 SLC2A1 (0.43)
SCHEMBL8378346 0.60 RAB9A (0.54) MEN1KMT2A
SCHEMBL1801781 0.60 PTGDR2 (0.39)
SCHEMBL1723806 0.57 PARP1 (0.40)
SCHEMBL2752494 0.57 BRD4 (0.42) TYK2

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 CDK1 674/4885CCNB1 2283/4885GSK3B 418/4885

“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.