SCHEMBL1646947

SCHEMBL1646947

O=C(Nc1ccnnc1)c1cc(-c2cnn(CCN3CCOCC3)c2)ccc1OCc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.61
CYP3A4 P08684 2/20 0.56
SLCO1B1 Q9Y6L6 2/20 0.56
IKBKE Q14164 2/20 0.54
TBK1 Q9UHD2 2/20 0.54
KCNH2 Q12809 1/20 0.49
GSK3B P49841 1/20 0.48
DYRK1A Q13627 1/20 0.48

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
SCHEMBL6918063 0.90 LRRK2 (0.76) LRRK2IKBKETBK1GSK3BDYRK1A
SCHEMBL29857044 0.90 LRRK2 (0.76) LRRK2IKBKETBK1GSK3BDYRK1A
SCHEMBL1648615 0.86 LRRK2 (0.79) LRRK2CYP3A4SLCO1B1KCNH2
SCHEMBL1646768 0.85 LRRK2 (0.51) LRRK2IKBKETBK1GSK3BDYRK1A
SCHEMBL10322212 0.84 LRRK2 (0.53) LRRK2IKBKETBK1GSK3BDYRK1A
SCHEMBL6917773 0.84 LRRK2 (0.65) LRRK2CYP3A4SLCO1B1KCNH2
SCHEMBL1647863 0.83 LRRK2 (0.53) LRRK2IKBKETBK1KCNH2GSK3B
SCHEMBL25951821 0.83 LRRK2 (0.65) LRRK2CYP3A4SLCO1B1IKBKETBK1
SCHEMBL10192760 0.81 LRRK2 (0.54) LRRK2CYP3A4SLCO1B1IKBKETBK1
SCHEMBL1647109 0.79 LRRK2 (0.65) LRRK2CYP3A4SLCO1B1

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
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885CYP3A4 4694/4885SLCO1B1 4801/4885

“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.