SCHEMBL41281

SCHEMBL41281

COc1cc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.43
SRC P12931 2/20 0.43
TTK P33981 4/20 0.41
JAK2 O60674 2/20 0.40
CCNK O75909 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
PIK3CG P48736 7/20 0.39
PIK3CD O00329 4/20 0.39
PIK3CA P42336 4/20 0.38
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
MAPK3 P27361 1/20 0.36
PDGFRB P09619 1/20 0.35
PIK3CB P42338 2/20 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
SCHEMBL40873 0.87 LRRK2 (0.44) LRRK2SRCTTKJAK2PIK3CG
SCHEMBL42384 0.87 SRC (0.57) LRRK2SRCTTKJAK2PIK3CG
SCHEMBL41063 0.85 JAK2 (0.44) LRRK2SRCTTKJAK2PIK3CG
SCHEMBL41292 0.84 LRRK2 (0.49) LRRK2SRCTTKJAK2PIK3CG
SCHEMBL41896 0.84 SRC (0.48) SRCJAK2PDGFRB
SCHEMBL41103 0.83 TTK (0.47) LRRK2TTKJAK2CDK2PIK3CG
SCHEMBL41122 0.79 SRC (0.53) LRRK2SRCTTKJAK2PIK3CG
SCHEMBL41482 0.79 LRRK2 (0.46) LRRK2SRCTTKJAK2PIK3CG
SCHEMBL41177 0.79 LRRK2 (0.46) LRRK2SRCTTKJAK2PIK3CG
SCHEMBL612376 0.78 SRC (0.46) LRRK2SRCTTKJAK2PIK3CG

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 8 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
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 167/4885SRC 401/4885TTK 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.