SCHEMBL1802877

SCHEMBL1802877

Cc1nc(-c2c[nH]c3nccc(C4C=CCCC4)c23)cs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.46
CDC42BPB Q9Y5S2 9/20 0.46
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
ROCK2 O75116 6/20 0.34
CDC42BPA Q5VT25 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 0.32
RET P07949 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
SCHEMBL1799233 0.87 CCNT1 (0.36) ROCK1CDC42BPBCCNT1CDK9CDK5
SCHEMBL1799953 0.79 ROCK1 (0.43) ROCK1CDC42BPBCCNT1CDK9CDK5
SCHEMBL2753851 0.74 ROCK2 (0.55) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL24672634 0.73 CDK9 (0.58) ROCK1CDC42BPBCCNT1CDK9CDK5
SCHEMBL1801778 0.72 BRD4 (0.44) RAB9ASMN1; SMN2
SCHEMBL1796417 0.65 JAK3 (0.43) ROCK1CDK9CDK5ROCK2JAK2
SCHEMBL1802880 0.63 CDK1 (0.39) NPC1RAB9ASMN1; SMN2
SCHEMBL27835141 0.63 CDK5 (0.61) ROCK1CDC42BPBCCNT1CDK9CDK5
SCHEMBL24673121 0.63 ROCK1 (1.00) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL12257978 0.61 NUDT1 (0.56) ROCK1CDK9CDK5ROCK2JAK2

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 ROCK1 398/4885CDC42BPB 153/4885CCNT1 1826/4885

“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.