SCHEMBL1799233

SCHEMBL1799233

CCN(CC)c1nc(-c2c[nH]c3nccc(C4C=CCCC4)c23)cs1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 8/20 0.36
CDK9 P50750 8/20 0.36
CDK5 Q00535 8/20 0.36
CDK5R1 Q15078 8/20 0.36
CCNA2 P20248 7/20 0.36
CDK2 P24941 7/20 0.36
CCNA1 P78396 7/20 0.36
ROCK1 Q13464 9/20 0.35
CDC42BPB Q9Y5S2 9/20 0.35
ROCK2 O75116 6/20 0.31
CDC42BPA Q5VT25 2/20 0.31
JAK2 O60674 1/20 0.31

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
SCHEMBL1802877 0.87 ROCK1 (0.46) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL1802365 0.75 BRD4 (0.35)
SCHEMBL1799953 0.74 ROCK1 (0.43) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL2753851 0.70 ROCK2 (0.55) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL1799236 0.67 CDK1 (0.36)
SCHEMBL1802369 0.64 PTGDR2 (0.38) CDK2
SCHEMBL15500785 0.63 MEN1 (0.39) ROCK1
SCHEMBL2237463 0.62 CDK5 (0.65) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL1800868 0.62 PDPK1 (0.53) CCNT1CDK9CDK5CCNA2CDK2
SCHEMBL12338414 0.62 PDPK1 (0.40) CCNT1CDK9CDK5CCNA2CDK2

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 CCNT1 1826/4885CDK9 381/4885CDK5 83/4885

“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.