SCHEMBL12763203

SCHEMBL12763203

COc1ccccc1-c1c[nH]c2ncc(-c3cccc(CN4CCCC4)c3)cc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.54
TNIK Q9UKE5 3/20 0.54
AAK1 Q2M2I8 1/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
MAP3K11 Q16584 1/20 0.52
ABL1 P00519 1/20 0.52
HTR7 P34969 2/20 0.51
KIT P10721 5/20 0.50

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
SCHEMBL12763196 0.91 ABL1 (0.58) MAP4K1TNIKAAK1MAP3K11ABL1
SCHEMBL12763201 0.89 TNIK (0.53) MAP4K1TNIKAAK1DRD2DRD4
SCHEMBL12763194 0.84 MAP4K1 (0.53) MAP4K1TNIKAAK1MAP3K11ABL1
SCHEMBL3375853 0.84 DRD4 (0.53) MAP4K1TNIKDRD2DRD4DRD3
SCHEMBL12763192 0.83 ABL1 (0.57) MAP4K1TNIKAAK1MAP3K11ABL1
SCHEMBL22971703 0.83 MAP4K1 (0.78) MAP4K1TNIKMAP3K11ABL1
SCHEMBL12762876 0.82 MAP4K1 (0.78) MAP4K1TNIKMAP3K11ABL1KIT
SCHEMBL1516705 0.81 KIT (0.63) MAP4K1AAK1KIT
SCHEMBL12763015 0.81 MAP3K11 (0.55) MAP4K1TNIKMAP3K11ABL1KIT
SCHEMBL12763555 0.81 KIT (0.62) MAP4K1AAK1KIT

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 22 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
US-7906648-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-03-15 US 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
US-20090306056-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-12-10 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-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-7582637-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20090005378-A1 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 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-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-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
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
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 (4 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 MAP4K1 6/4885TNIK 146/4885AAK1 80/4885
US-20080221119-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 MAP4K1 6/4885TNIK 146/4885AAK1 80/4885
US-20090005378-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 MAP4K1 6/4885TNIK 146/4885AAK1 80/4885
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 MAP4K1 14/4885TNIK 174/4885AAK1 144/4885

“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.