SCHEMBL1797649

SCHEMBL1797649

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
BRD4 O60885 4/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
PLK1 P53350 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTR6 P50406 5/20 0.37
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 1/20 0.34
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1803351 0.89 AKR1C3 (0.45) AKR1C3AKR1C1BRD4ENPP3ENPP1
SCHEMBL1796808 0.87 AKR1C3 (0.56) AKR1C3AKR1C1BRD4ENPP3ENPP1
SCHEMBL2237476 0.85 LMNA (0.56) AKR1C3AKR1C1BRD4ENPP3ENPP1
SCHEMBL1894844 0.82 MEN1 (0.59) AKR1C3AKR1C1BRD4ENPP3ENPP1
SCHEMBL1043519 0.79 BRD4 (0.58) AKR1C3AKR1C1BRD4ENPP3ENPP1
SCHEMBL2965430 0.79 BRD4 (0.47) AKR1C3AKR1C1BRD4ENPP3ENPP1
SCHEMBL13746338 0.78 BRD4 (0.42) AKR1C3AKR1C1BRD4ENPP3ENPP1
SCHEMBL13620691 0.78 HTR6 (0.53) BRD4ENPP3ENPP1HTR6DRD2
Hydrochloric Acid SCHEMBL4250437 0.78 BRD4 (0.41) AKR1C3AKR1C1BRD4ENPP3ENPP1
SCHEMBL16374571 0.78 BRD4 (0.38) AKR1C3AKR1C1BRD4ENPP3ENPP1

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 7 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
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 2592/4885BRD4 728/4885

“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.