SCHEMBL3409931

SCHEMBL3409931

Cc1ccc(S(=O)(=O)n2cc(I)c3cc(-c4c[c]ccc4)cnc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.53
PTPN11 Q06124 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 1/20 0.37
ALDH3A1 P30838 1/20 0.37
HTT P42858 1/20 0.37
NOD1 Q9Y239 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
KDM4E B2RXH2 1/20 0.34
UBE2N P61088 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR6 P50406 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
AGTR1 P30556 1/20 0.31

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
SCHEMBL1850782 0.87 BRD4 (0.64) BRD4PTPN11L3MBTL1POLBALDH3A1
SCHEMBL17939298 0.81 BRD4 (0.52) BRD4PTPN11L3MBTL1POLBALDH3A1
SCHEMBL15562621 0.80 BRD4 (0.53) BRD4PTPN11L3MBTL1POLBALDH3A1
SCHEMBL19250316 0.80 BRD4 (0.54) BRD4PTPN11L3MBTL1POLBALDH3A1
SCHEMBL5369748 0.80 BRD4 (0.34) BRD4PTPN11HTTALDH1A1LMNA
SCHEMBL15555803 0.79 BRD4 (0.51) BRD4PTPN11ALDH1A1LMNAMAPT
SCHEMBL1516645 0.79 BRD4 (0.51) BRD4PTPN11L3MBTL1POLBALDH3A1
SCHEMBL1799967 0.79 BRD4 (0.67) BRD4PTPN11HTR6
SCHEMBL17939505 0.79 BRD4 (0.52) BRD4PTPN11L3MBTL1MAPT
SCHEMBL721044 0.78 BRD4 (0.51) BRD4PTPN11POLBALDH1A1MAPT

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
EP-2264033-A1 3,5-DIPHENYL-SUBSTITUTED PYRROLO[2,3b]PYRIDINES USEFUL AS KINASE INHIBITORS SGX Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
EP-2134343-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
US-20090306056-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-12-10 US disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-20080221119-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-09-11 US disclosed
US-7361763-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-20060030583-A1 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2006-02-09 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 (3 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-20090306056-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 BRD4 418/4885PTPN11 582/4885L3MBTL1 3181/4885
US-20080221119-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 BRD4 418/4885PTPN11 582/4885L3MBTL1 3181/4885
US-20060030583-A1 Pyrrolo-pyridine kinase modulators MAP3K20, MAP4K2, MAP3K19 BRD4 418/4885PTPN11 582/4885L3MBTL1 3181/4885

“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.