SCHEMBL2600622

SCHEMBL2600622

COc1ccccc1-c1c[nH]c2ncc(Br)c(N)c12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.57
JAK3 P52333 3/20 0.57
JAK2 O60674 2/20 0.57
STK4 Q13043 1/20 0.52
STK3 Q13188 1/20 0.52
KIT P10721 1/20 0.43
MAP4K1 Q92918 1/20 0.43
ABL1 P00519 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 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
SCHEMBL2112508 0.85 LRRK2 (0.54) LRRK2JAK3JAK2STK4STK3
SCHEMBL2114155 0.85 LRRK2 (0.54) LRRK2JAK3JAK2STK4STK3
SCHEMBL2113093 0.85 LRRK2 (0.54) LRRK2JAK3JAK2STK4STK3
SCHEMBL2600618 0.84 LRRK2 (0.53) LRRK2JAK3JAK2STK4STK3
SCHEMBL2112310 0.82 LRRK2 (0.52) LRRK2JAK3JAK2STK4STK3
SCHEMBL2112456 0.81 LRRK2 (0.51) LRRK2JAK3JAK2STK4STK3
SCHEMBL28057749 0.79 LRRK2 (0.70) LRRK2JAK3JAK2STK4STK3
SCHEMBL2600617 0.78 LRRK2 (0.47) LRRK2JAK3JAK2STK4STK3
SCHEMBL2112326 0.77 JAK3 (0.52) LRRK2JAK3JAK2STK4STK3
SCHEMBL2112309 0.76 LRRK2 (0.51) LRRK2JAK3JAK2STK4STK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
WO-2008150914-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-12-11 WO 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 (1 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-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS PDXK, MAP3K4, PDPK1 LRRK2 1040/4885JAK3 90/4885JAK2 52/4885

“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.