SCHEMBL12836716

SCHEMBL12836716

CC(=O)Nc1ncc(Br)cc1[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.40
DYRK1B Q9Y463 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
PTK2 Q05397 1/20 0.33
TSHR P16473 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL11637557 0.81 MAPT (0.51) DYRK1ADYRK1BL3MBTL1MAPTNPC1
SCHEMBL1433126 0.79 DYRK1A (0.42) DYRK1ADYRK1BL3MBTL1MAPTNPC1
SCHEMBL760353 0.79 NPC1 (0.48) DYRK1ADYRK1BL3MBTL1MAPTNPC1
SCHEMBL4098480 0.79 DYRK1A (0.42) DYRK1ADYRK1BL3MBTL1MAPTNPC1
SCHEMBL1516710 0.78 DYRK1A (0.43) DYRK1ADYRK1BL3MBTL1MAPTNPC1
SCHEMBL11982873 0.78 DYRK1A (0.41) DYRK1ADYRK1BL3MBTL1MAPTNPC1
SCHEMBL4102739 0.77 ALDH1A1 (0.43) DYRK1ADYRK1BL3MBTL1NPC1KCNH2
SCHEMBL14231805 0.75 DYRK1A (0.39) DYRK1ADYRK1BL3MBTL1MAPTNPC1
SCHEMBL2404084 0.74 ALDH1A1 (0.39) DYRK1ADYRK1BL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL21317767 0.74 L3MBTL1 (0.40) DYRK1ADYRK1BL3MBTL1MAPTNPC1

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 10 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-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
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-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 261/4885DYRK1B 247/4885L3MBTL1 3181/4885
US-20080221119-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 DYRK1A 261/4885DYRK1B 247/4885L3MBTL1 3181/4885
US-20090005378-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 DYRK1A 261/4885DYRK1B 247/4885L3MBTL1 3181/4885
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 673/4885DYRK1B 661/4885L3MBTL1 2893/4885
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 DYRK1A 279/4885DYRK1B 291/4885L3MBTL1 3730/4885

“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.