SCHEMBL41177

SCHEMBL41177

Cn1cc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.46
PIK3CG P48736 3/20 0.46
JAK3 P52333 2/20 0.43
JAK2 O60674 2/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
TTK P33981 5/20 0.42
CDK19 Q9BWU1 2/20 0.40
ALK Q9UM73 2/20 0.40
IGF1R P08069 1/20 0.39
SRC P12931 3/20 0.38
PIK3CA P42336 2/20 0.38
PTK2 Q05397 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PDGFRB P09619 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ABL1 P00519 1/20 0.36

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
SCHEMBL41148 0.86 JAK2 (0.41) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL41482 0.84 LRRK2 (0.46) LRRK2PIK3CGJAK2TTKSRC
SCHEMBL41292 0.83 LRRK2 (0.49) LRRK2PIK3CGJAK3JAK2TTK
SCHEMBL40873 0.82 LRRK2 (0.44) LRRK2PIK3CGJAK2TTKSRC
SCHEMBL41122 0.82 SRC (0.53) LRRK2PIK3CGJAK2TTKSRC
SCHEMBL42384 0.81 SRC (0.57) LRRK2PIK3CGJAK3JAK2TTK
SCHEMBL41008 0.80 LRRK2 (0.44) LRRK2PIK3CGJAK2TTKSRC
SCHEMBL41597 0.80 LRRK2 (0.47) LRRK2PIK3CGJAK3JAK2TTK
SCHEMBL613379 0.80 LRRK2 (0.47) LRRK2PIK3CGJAK3JAK2TYK2
SCHEMBL612713 0.80 TTK (0.67) LRRK2PIK3CGJAK3JAK2TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US claimed
EP-2585439-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Fovea Pharmaceuticals (FR) 2013-05-01 EP claimed
WO-2011161159-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2011-12-29 WO claimed

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-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION CAMK2D, CAMK2A, CAMK2B LRRK2 167/4885PIK3CG 1299/4885JAK3 824/4885

“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.