SCHEMBL41008

SCHEMBL41008

OCc1cc(CO)cc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.44
JAK2 O60674 1/20 0.41
TTK P33981 10/20 0.41
PIK3CD O00329 2/20 0.36
PIK3CG P48736 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
SRC P12931 4/20 0.35
ABL1 P00519 2/20 0.35
YES1 P07947 1/20 0.35
KDR P35968 1/20 0.35
PDGFRB P09619 1/20 0.34

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
SCHEMBL613379 0.92 LRRK2 (0.47) LRRK2JAK2TTKPIK3CDPIK3CG
SCHEMBL613388 0.91 LRRK2 (0.47) LRRK2JAK2TTKPIK3CDPIK3CG
SCHEMBL41398 0.90 LRRK2 (0.41) LRRK2JAK2TTKPIK3CDPIK3CG
SCHEMBL41596 0.86 LRRK2 (0.43) LRRK2JAK2TTKPIK3CDPIK3CG
SCHEMBL41600 0.85 SRC (0.44) LRRK2JAK2TTKSRCABL1
SCHEMBL41685 0.85 TDP2 (0.35) JAK2SRCABL1YES1KDR
SCHEMBL41063 0.85 JAK2 (0.44) LRRK2JAK2TTKPIK3CDPIK3CG
SCHEMBL42778 0.84 LRRK2 (0.41) LRRK2JAK2TTKPIK3CDPIK3CG
SCHEMBL41292 0.84 LRRK2 (0.49) LRRK2JAK2TTKPIK3CDPIK3CG
SCHEMBL41482 0.83 LRRK2 (0.46) LRRK2JAK2TTKPIK3CDPIK3CG

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 9 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
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US disclosed
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
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 167/4885JAK2 283/4885TTK 342/4885

“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.