SCHEMBL3414082

SCHEMBL3414082

COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(N)c(S(N)(=O)=O)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
PTPN11 Q06124 1/20 0.44
MAP4K1 Q92918 1/20 0.39
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 3/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PI4KA P42356 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
FYN P06241 2/20 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
SCHEMBL13368497 0.89 MAPT (0.47) TSHRSMN1; SMN2MAPTPTPN11MAP4K1
SCHEMBL13342637 0.87 PTPN11 (0.51) TSHRSMN1; SMN2MAPTPTPN11MAP4K1
SCHEMBL3561085 0.85 PTPN11 (0.44) TSHRSMN1; SMN2MAPTPTPN11MAP4K1
SCHEMBL3565148 0.85 MAP4K1 (0.59) TSHRSMN1; SMN2MAPTPTPN11MAP4K1
Trifluoroacetic Acid SCHEMBL3560130 0.83 PTPN11 (0.47) TSHRSMN1; SMN2MAPTPTPN11MAP4K1
SCHEMBL1516627 0.82 PTPN11 (0.47) TSHRSMN1; SMN2MAPTPTPN11MAP4K1
SCHEMBL12763220 0.82 TSHR (0.53) TSHRSMN1; SMN2MAPTPTPN11MEN1
SCHEMBL3564256 0.82 PTPN11 (0.43) TSHRSMN1; SMN2MAPTPTPN11MAP4K1
SCHEMBL3560133 0.82 PTPN11 (0.43) TSHRSMN1; SMN2MAPTPTPN11MAP4K1
SCHEMBL15805344 0.81 PTPN11 (0.45) TSHRSMN1; SMN2MAPTPTPN11MEN1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906648-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
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-2264033-A1 3,5-DIPHENYL-SUBSTITUTED PYRROLO[2,3b]PYRIDINES USEFUL AS KINASE INHIBITORS SGX Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US 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
US-7601839-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS INC. (US) 2009-10-13 US disclosed
US-7601839-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS INC. (US) 2009-10-13 US disclosed
US-7582637-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-7361763-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361764-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
WO-2007106236-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
WO-2007106236-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
EP-1781654-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2007-05-09 EP disclosed
US-20070043068-A1 to treat diseases mediated by kinase activity; for example: [3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine-5-yl]-methyl-phenyl-amine SGX PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070043068-A1 to treat diseases mediated by kinase activity; for example: [3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine-5-yl]-methyl-phenyl-amine SGX PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070043068-A1 to treat diseases mediated by kinase activity; for example: [3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine-5-yl]-methyl-phenyl-amine SGX PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20060030583-A1 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2006-02-09 US disclosed
WO-2006015123-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2006-02-09 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 (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 TSHR 1725/4885SMN1; SMN2 3298/4885MAPT 1612/4885
US-20060030583-A1 Pyrrolo-pyridine kinase modulators MAP3K20, MAP4K2, MAP3K19 TSHR 1725/4885SMN1; SMN2 3298/4885MAPT 1612/4885
US-20070043068-A1 to treat diseases mediated by kinase activity; for example: [3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine-5-yl]-methyl-phenyl-amine MAP3K20, MAP4K2, MAP3K6 TSHR 1281/4885SMN1; SMN2 1879/4885MAPT 1659/4885

“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.