SCHEMBL1799953

SCHEMBL1799953

C1=CC(c2ccnc3[nH]cc(-c4nccs4)c23)CCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 16/20 0.43
CDC42BPB Q9Y5S2 16/20 0.43
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
JAK2 O60674 2/20 0.34
ROCK2 O75116 10/20 0.34
CDC42BPA Q5VT25 3/20 0.34
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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 0.79 ROCK1 (0.46) ROCK1CDC42BPBJAK2ROCK2CDC42BPA
SCHEMBL2753851 0.75 ROCK2 (0.55) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL1799233 0.74 CCNT1 (0.36) ROCK1CDC42BPBJAK2ROCK2CDC42BPA
SCHEMBL1800464 0.70 HTR6 (0.33)
SCHEMBL1796417 0.68 JAK3 (0.43) ROCK1JAK2ROCK2CDK9CDK5
SCHEMBL29869782 0.66 ROCK1 (0.71) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL20744225 0.66 ROCK1 (0.71) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL29000584 0.65 NOS3 (0.31)
SCHEMBL2241248 0.62 TGFBR1 (0.51) ROCK2CCNT1CCNA2CDK2CDK9
SCHEMBL30668749 0.62 TGFBR1 (0.51) ROCK2CCNT1CCNA2CDK2CDK9

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-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

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 ROCK1 398/4885CDC42BPB 153/4885ADRA1D 2829/4885

“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.