SCHEMBL4199152

SCHEMBL4199152

N#Cc1cn(S(=O)(=O)c2ccccc2)c2ncc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.41
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
IMPDH2 P12268 1/20 0.37
HTR6 P50406 7/20 0.36
PPME1 Q9Y570 2/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
HTR1A P08908 1/20 0.36
CYP2C19 P33261 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
AURKA O14965 1/20 0.35
APEH P13798 1/20 0.34
SLC22A12 Q96S37 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
SCHEMBL3388837 0.88 ENPP3 (0.40) BRD4ENPP3ENPP1
SCHEMBL4191193 0.86 BRD4 (0.39) BRD4ENPP3ENPP1HTR6DRD2
SCHEMBL8298982 0.85 BRD4 (0.41) BRD4IMPDH2HTR6PPME1DRD2
SCHEMBL14976342 0.82 SCN5A (0.39) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL2965430 0.81 BRD4 (0.47) BRD4ENPP3ENPP1HTR6DRD2
SCHEMBL1043519 0.81 BRD4 (0.58) BRD4ENPP3ENPP1HTR6DRD2
SCHEMBL13620691 0.80 HTR6 (0.53) BRD4ENPP3ENPP1HTR6DRD2
SCHEMBL4196067 0.79 KDM4E (0.45) BRD4ENPP3ENPP1HTR6DRD2
SCHEMBL1796808 0.79 AKR1C3 (0.56) BRD4ENPP3ENPP1HTR6DRD2
SCHEMBL9280138 0.79 PDPK1 (0.49) BRD4HTR6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612086-B2 Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO. LTD. (JP) 2009-11-03 US disclosed
US-7612086-B2 Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO. LTD. (JP) 2009-11-03 US disclosed
WO-2008110508-A1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INAPPROPRIATE IKK1 ACTIVITY GLAXO GROUP LIMITED (GB) 2008-09-18 WO disclosed
WO-2008110508-A1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INAPPROPRIATE IKK1 ACTIVITY GLAXO GROUP LIMITED (GB) 2008-09-18 WO disclosed
US-20070142366-A1 Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-06-21 US disclosed
US-20070142366-A1 Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-06-21 US disclosed
EP-1628975-A2 JNK INHIBITORS Eisai Co., Ltd. (JP) 2006-03-01 EP disclosed
WO-2004101565-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-11-25 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-20070142366-A1 Jun N-terminal kinase inhibitors; 1H-pyrrolo[2,3-b]pyridines 3-substituted with a C 5-7 carbocycle and 5-substituted by a 5-member heterocycle; 3-(p-(dimethylamino)phenyl)-5-(2-thiazolyl-1H-pyrrolo[2,3-b]pyridine; neurodegenerative disorders related to apoptosis and/or inflammation API5, MAP3K5, MAP3K7 BRD4 469/4885ENPP3 2154/4885ENPP1 1972/4885

“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.