SCHEMBL1796808

SCHEMBL1796808

O=C(O)c1cn(S(=O)(=O)c2ccccc2)c2ncc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.56
AKR1C1 Q04828 1/20 0.56
ENPP3 O14638 2/20 0.44
ENPP1 P22413 1/20 0.44
PLK1 P53350 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
BRD4 O60885 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RXFP1 Q9HBX9 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.39
FABP4 P15090 1/20 0.39
HTR6 P50406 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL2237476 0.90 LMNA (0.56) AKR1C3AKR1C1ENPP3ENPP1PLK1
SCHEMBL1803351 0.90 AKR1C3 (0.45) AKR1C3AKR1C1ENPP3ENPP1PLK1
SCHEMBL1894844 0.87 MEN1 (0.59) AKR1C3AKR1C1ENPP3ENPP1PLK1
SCHEMBL1797649 0.87 AKR1C3 (0.42) AKR1C3AKR1C1ENPP3ENPP1PLK1
SCHEMBL2965430 0.82 BRD4 (0.47) AKR1C3AKR1C1ENPP3ENPP1SMN1; SMN2
SCHEMBL1043519 0.82 BRD4 (0.58) AKR1C3AKR1C1ENPP3ENPP1SMN1; SMN2
SCHEMBL13746338 0.81 BRD4 (0.42) AKR1C3AKR1C1ENPP3ENPP1PLK1
SCHEMBL13620691 0.81 HTR6 (0.53) ENPP3ENPP1BRD4HTR6HTR1A
Hydrochloric Acid SCHEMBL4250437 0.81 BRD4 (0.41) AKR1C3AKR1C1ENPP3ENPP1PLK1
SCHEMBL12675783 0.80 ENPP3 (0.38) AKR1C3AKR1C1ENPP3ENPP1PLK1

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 9 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-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-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
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
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
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 AKR1C3 2006/4885AKR1C1 2592/4885ENPP3 1876/4885

“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.