SCHEMBL13342249

SCHEMBL13342249

COc1ccccc1-c1c[nH]c2ncc(-c3cc(Cl)c(O)c(C(=O)N4CCOCC4)c3)cc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.58
MAP4K1 Q92918 5/20 0.52
ABL1 P00519 1/20 0.51
NTRK1 P04629 2/20 0.49
IL2 P60568 1/20 0.47
CAMKK2 Q96RR4 1/20 0.45
LRRK2 Q5S007 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
CNR2 P34972 1/20 0.43
STK4 Q13043 1/20 0.43
STK3 Q13188 1/20 0.43
PIK3CA P42336 1/20 0.42
MAP3K11 Q16584 1/20 0.42

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
SCHEMBL3558319 0.91 KIT (0.61) KITMAP4K1ABL1NTRK1IL2
SCHEMBL12763027 0.88 KIT (0.64) KITMAP4K1ABL1NTRK1IL2
SCHEMBL3568852 0.86 MAP4K1 (0.51) KITMAP4K1ABL1CAMKK2MAP3K11
SCHEMBL13342203 0.86 KIT (0.55) KITMAP4K1ABL1NTRK1IL2
SCHEMBL13342276 0.85 MAP4K1 (0.52) KITMAP4K1ABL1CAMKK2MAP3K11
SCHEMBL13342280 0.85 MAP4K1 (0.52) KITMAP4K1ABL1CAMKK2MAP3K11
SCHEMBL13342241 0.85 MAP4K1 (0.52) KITMAP4K1ABL1CAMKK2MAP3K11
SCHEMBL3564439 0.85 MAP4K1 (0.60) KITMAP4K1ABL1CAMKK2MAP3K11
SCHEMBL13342210 0.85 MAP4K1 (0.48) KITMAP4K1ABL1IL2CAMKK2
SCHEMBL13342271 0.84 KIT (0.64) KITMAP4K1ABL1NTRK1IL2

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 KIT 1181/4885MAP4K1 6/4885ABL1 235/4885
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 1238/4885MAP4K1 14/4885ABL1 96/4885
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 KIT 1085/4885MAP4K1 3/4885ABL1 348/4885

“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.