SCHEMBL41597

SCHEMBL41597

Oc1ccc(Cl)c(-c2ccc3nc(Nc4ccc(C(O)O)cc4)nn3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.47
TTK P33981 7/20 0.45
JAK2 O60674 3/20 0.43
SRC P12931 6/20 0.37
ABL1 P00519 5/20 0.37
JAK3 P52333 2/20 0.36
PTK2 Q05397 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
ALOX5 P09917 1/20 0.35
VCP P55072 1/20 0.35
YES1 P07947 2/20 0.35
KDR P35968 2/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL41009 0.89 LRRK2 (0.47) LRRK2TTKJAK2SRCPIK3CD
SCHEMBL41292 0.86 LRRK2 (0.49) LRRK2TTKJAK2SRCABL1
SCHEMBL613379 0.85 LRRK2 (0.47) LRRK2TTKJAK2SRCABL1
SCHEMBL41482 0.83 LRRK2 (0.46) LRRK2TTKJAK2SRCPIK3CD
SCHEMBL612713 0.83 TTK (0.67) LRRK2TTKJAK2SRCABL1
SCHEMBL613040 0.83 LRRK2 (0.52) LRRK2TTKJAK2SRCABL1
SCHEMBL612697 0.83 SRC (0.56) LRRK2TTKJAK2SRCABL1
SCHEMBL612376 0.82 SRC (0.46) LRRK2TTKJAK2SRCABL1
SCHEMBL613005 0.82 LRRK2 (0.44) LRRK2TTKJAK2SRCABL1
SCHEMBL41596 0.82 LRRK2 (0.43) LRRK2TTKJAK2SRCABL1

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-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
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US disclosed
EP-2585439-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Fovea Pharmaceuticals (FR) 2013-05-01 EP disclosed
WO-2011161159-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2011-12-29 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-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION CAMK2D, CAMK2A, CAMK2B LRRK2 167/4885TTK 342/4885JAK2 283/4885

“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.