SCHEMBL41103

SCHEMBL41103

COc1cc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.47
PIK3CG P48736 3/20 0.45
PIK3CD O00329 2/20 0.45
LRRK2 Q5S007 3/20 0.44
PIK3CA P42336 2/20 0.43
JAK2 O60674 2/20 0.42
BRAF P15056 2/20 0.42
FLT3 P36888 1/20 0.42
EGFR P00533 1/20 0.42
CDK2 P24941 1/20 0.42
PIK3CB P42338 1/20 0.42
PTK2B Q14289 1/20 0.42
TUBB4A P04350 5/20 0.42
TUBB P07437 5/20 0.42
TUBA3C P0DPH7 5/20 0.42
TUBA1B P68363 5/20 0.42
TUBA4A P68366 5/20 0.42
TUBB4B P68371 5/20 0.42
TUBB3 Q13509 5/20 0.42
TUBB2A Q13885 5/20 0.42

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
SCHEMBL42384 0.83 SRC (0.57) TTKPIK3CGPIK3CDLRRK2JAK2
SCHEMBL41281 0.83 LRRK2 (0.43) TTKPIK3CGPIK3CDLRRK2PIK3CA
SCHEMBL41292 0.81 LRRK2 (0.49) TTKPIK3CGPIK3CDLRRK2PIK3CA
SCHEMBL41008 0.81 LRRK2 (0.44) TTKPIK3CGPIK3CDLRRK2PIK3CA
SCHEMBL41482 0.81 LRRK2 (0.46) TTKPIK3CGPIK3CDLRRK2PIK3CA
SCHEMBL41177 0.80 LRRK2 (0.46) TTKPIK3CGPIK3CDLRRK2PIK3CA
SCHEMBL41597 0.79 LRRK2 (0.47) TTKPIK3CGPIK3CDLRRK2PIK3CA
SCHEMBL613379 0.79 LRRK2 (0.47) TTKPIK3CGPIK3CDLRRK2PIK3CA
SCHEMBL40873 0.79 LRRK2 (0.44) TTKPIK3CGPIK3CDLRRK2PIK3CA
SCHEMBL41122 0.79 SRC (0.53) TTKPIK3CGLRRK2PIK3CAJAK2

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 TTK 342/4885PIK3CG 1299/4885PIK3CD 763/4885

“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.