SCHEMBL12763538

SCHEMBL12763538

COc1ccccc1-c1c[nH]c2ncc(-c3ccc(NS(C)(=O)=O)cc3)cc12

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.66
CLK1 P49759 1/20 0.66
DYRK2 Q92630 1/20 0.66
DYRK1B Q9Y463 1/20 0.66
ABL1 P00519 1/20 0.58
KIT P10721 10/20 0.57
MAP4K1 Q92918 1/20 0.57
TNIK Q9UKE5 1/20 0.55
AAK1 Q2M2I8 1/20 0.54
NTRK1 P04629 2/20 0.54
PIK3CA P42336 2/20 0.54
MAP3K11 Q16584 1/20 0.53
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
NR3C2 P08235 1/20 0.52
AR P10275 1/20 0.52

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
SCHEMBL12763541 0.90 KIT (0.64) DYRK1ACLK1DYRK2DYRK1BABL1
SCHEMBL12763480 0.86 DYRK1A (0.63) DYRK1ACLK1DYRK2DYRK1BKIT
SCHEMBL8941800 0.85 CLK1 (0.81) DYRK1ACLK1DYRK2DYRK1BKIT
SCHEMBL8321166 0.84 KIT (0.73) DYRK1AABL1KITMAP4K1TNIK
SCHEMBL12762997 0.84 DYRK1A (0.62) DYRK1AABL1KITMAP4K1AAK1
SCHEMBL12763444 0.84 CLK1 (0.67) DYRK1ACLK1DYRK2DYRK1BTNIK
SCHEMBL12763228 0.84 ABL1 (0.65) DYRK1AABL1KITMAP4K1AAK1
SCHEMBL12763543 0.83 KIT (0.72) DYRK1AABL1KITMAP4K1AAK1
SCHEMBL13341945 0.82 KIT (0.73) DYRK1ACLK1DYRK2DYRK1BABL1
SCHEMBL12762898 0.82 DYRK1A (0.66) DYRK1ACLK1DYRK2DYRK1BABL1

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 14 patents. 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
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US 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-7582637-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20090005378-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 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-7361764-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361763-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 DYRK1A 261/4885CLK1 422/4885DYRK2 227/4885
US-20080221119-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 DYRK1A 261/4885CLK1 422/4885DYRK2 227/4885
US-20090005378-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 DYRK1A 261/4885CLK1 422/4885DYRK2 227/4885
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 DYRK1A 673/4885CLK1 515/4885DYRK2 614/4885
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 DYRK1A 279/4885CLK1 421/4885DYRK2 216/4885

“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.