SCHEMBL6918315

SCHEMBL6918315

O=C(Nc1cccnc1)c1cc(CN2CCOCC2)ccc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.65
SGMS2 Q8NHU3 1/20 0.63
CYP3A4 P08684 1/20 0.61
SLCO1B1 Q9Y6L6 1/20 0.61
MET P08581 1/20 0.57
SRPK3 Q9UPE1 1/20 0.55

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
SCHEMBL6917908 0.93 LRRK2 (0.67) LRRK2SGMS2SRPK3
SCHEMBL10323262 0.92 LRRK2 (0.68) LRRK2SGMS2METSRPK3
SCHEMBL6917537 0.90 LRRK2 (0.68) LRRK2SGMS2SRPK3
SCHEMBL168887 0.86 LRRK2 (0.61) LRRK2SGMS2CYP3A4SLCO1B1MET
SCHEMBL15204854 0.86 LRRK2 (0.61) LRRK2SGMS2CYP3A4SLCO1B1MET
SCHEMBL6918440 0.85 LRRK2 (0.66) LRRK2SGMS2CYP3A4SLCO1B1MET
SCHEMBL167994 0.84 LRRK2 (0.60) LRRK2SGMS2CYP3A4SLCO1B1MET
SCHEMBL6917365 0.83 MAPT (0.68) LRRK2SGMS2CYP3A4SLCO1B1
SCHEMBL10322929 0.83 LRRK2 (0.63) LRRK2SGMS2METSRPK3
SCHEMBL13163944 0.82 HIF1A (0.51)

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
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
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

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 1/4885SGMS2 2320/4885CYP3A4 4694/4885

“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.