SCHEMBL13342181

SCHEMBL13342181

CCc1cc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc(C(=O)N(C)CCN(C)C)c1O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.62
ABL1 P00519 3/20 0.59
CAMKK2 Q96RR4 4/20 0.47
SGK1 O00141 3/20 0.47
MAP3K11 Q16584 3/20 0.44
CYP3A4 P08684 2/20 0.43
KIT P10721 2/20 0.42
AAK1 Q2M2I8 2/20 0.42
BTK Q06187 1/20 0.42
ITK Q08881 1/20 0.42
NEK1 Q96PY6 1/20 0.41
AXL P30530 1/20 0.41

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
SCHEMBL14042964 0.96 MAP4K1 (0.58) MAP4K1ABL1CAMKK2SGK1MAP3K11
SCHEMBL13342243 0.93 MAP4K1 (0.61) MAP4K1ABL1CAMKK2MAP3K11KIT
SCHEMBL12763590 0.92 MAP4K1 (0.60) MAP4K1ABL1CAMKK2MAP3K11KIT
SCHEMBL12763585 0.92 MAP4K1 (0.60) MAP4K1ABL1CAMKK2SGK1MAP3K11
SCHEMBL13342176 0.91 MAP4K1 (0.75) MAP4K1ABL1CAMKK2SGK1MAP3K11
SCHEMBL14412736 0.90 CAMKK2 (0.50) MAP4K1ABL1CAMKK2SGK1CYP3A4
SCHEMBL12763588 0.90 MAP4K1 (0.57) MAP4K1ABL1CAMKK2SGK1MAP3K11
SCHEMBL1516633 0.88 MAP4K1 (0.66) MAP4K1ABL1CAMKK2SGK1MAP3K11
SCHEMBL12763577 0.88 MAP4K1 (0.61) MAP4K1ABL1CAMKK2SGK1MAP3K11
SCHEMBL12763563 0.88 MAP4K1 (0.81) MAP4K1ABL1CAMKK2MAP3K11CYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 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-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-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 (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-20090005378-A1 PYRROLO-PYRIDINE KINASE MODULATORS MAP3K20, MAP4K2, MAP3K19 MAP4K1 6/4885ABL1 235/4885CAMKK2 31/4885
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 14/4885ABL1 96/4885CAMKK2 22/4885
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 MAP4K1 3/4885ABL1 348/4885CAMKK2 37/4885

“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.