SCHEMBL12763541

SCHEMBL12763541

COc1ccccc1-c1c[nH]c2ncc(-c3cccc(NS(C)(=O)=O)c3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.64
PIK3CA P42336 3/20 0.64
NTRK1 P04629 2/20 0.64
ABL1 P00519 1/20 0.56
MAP4K1 Q92918 1/20 0.55
AAK1 Q2M2I8 1/20 0.55
FYN P06241 1/20 0.55
TGFBR1 P36897 1/20 0.55
ACVR1 Q04771 1/20 0.55
TNIK Q9UKE5 2/20 0.54
RIPK1 Q13546 1/20 0.54
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
NR3C2 P08235 1/20 0.53
AR P10275 1/20 0.53
CLK1 P49759 1/20 0.53
DYRK1A Q13627 1/20 0.53
DYRK2 Q92630 1/20 0.53

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
SCHEMBL12763538 0.90 DYRK1A (0.66) KITPIK3CANTRK1ABL1MAP4K1
SCHEMBL12762933 0.86 CAMKK2 (0.63) KITPIK3CANTRK1ABL1MAP4K1
SCHEMBL29364405 0.84 KIT (0.77) KITNTRK1ABL1MAP4K1AAK1
SCHEMBL16186591 0.84 KIT (0.77) KITNTRK1ABL1MAP4K1AAK1
SCHEMBL13651117 0.84 AAK1 (0.57) KITPIK3CANTRK1ABL1MAP4K1
SCHEMBL12762938 0.83 MAP4K1 (0.58) KITPIK3CANTRK1ABL1MAP4K1
SCHEMBL8321166 0.83 KIT (0.73) KITABL1MAP4K1AAK1TNIK
SCHEMBL12763542 0.82 KIT (0.74) KITNTRK1ABL1MAP4K1AAK1
SCHEMBL1516639 0.81 ABL1 (0.62) KITNTRK1ABL1MAP4K1AAK1
SCHEMBL1516714 0.81 AXL (0.73) KITNTRK1ABL1MAP4K1AAK1

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 16 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-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
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 KIT 1181/4885PIK3CA 267/4885NTRK1 434/4885
US-20080221119-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 KIT 1181/4885PIK3CA 267/4885NTRK1 434/4885
US-20090005378-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 KIT 1181/4885PIK3CA 267/4885NTRK1 434/4885
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 KIT 1238/4885PIK3CA 338/4885NTRK1 386/4885
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 KIT 1085/4885PIK3CA 165/4885NTRK1 828/4885

“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.