SCHEMBL2114155

SCHEMBL2114155

[CH2]c1c(Br)cnc2[nH]cc(-c3ccccc3OC)c12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.54
JAK3 P52333 3/20 0.54
JAK2 O60674 2/20 0.54
STK4 Q13043 1/20 0.49
STK3 Q13188 1/20 0.49
ABL1 P00519 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KIT P10721 2/20 0.39
MAP4K1 Q92918 1/20 0.39
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL2600622 0.85 LRRK2 (0.57) 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
SCHEMBL2600617 0.78 LRRK2 (0.47) LRRK2JAK3JAK2STK4STK3
SCHEMBL2112309 0.76 LRRK2 (0.51) LRRK2JAK3JAK2STK4STK3
SCHEMBL1516570 0.74 DYRK1A (0.62) LRRK2JAK3JAK2STK3ABL1
SCHEMBL28057749 0.73 LRRK2 (0.70) 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 2 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-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 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 (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.