SCHEMBL10820439

SCHEMBL10820439

O=C(Nc1ccnnc1)c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 0.83
SRPK3 Q9UPE1 1/20 0.77
CYP3A4 P08684 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52

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
SCHEMBL1646963 0.87 LRRK2 (1.00) LRRK2SRPK3
SCHEMBL1647748 0.86 LRRK2 (0.81) LRRK2SRPK3CYP3A4SLCO1B1
SCHEMBL10322017 0.84 LRRK2 (0.60) LRRK2SRPK3CYP3A4SLCO1B1
SCHEMBL1647109 0.83 LRRK2 (0.65) LRRK2SRPK3CYP3A4SLCO1B1
SCHEMBL1647847 0.81 LRRK2 (0.79) LRRK2SRPK3CYP3A4SLCO1B1
SCHEMBL1648331 0.79 LRRK2 (0.59) LRRK2SRPK3CYP3A4SLCO1B1
SCHEMBL1648615 0.79 LRRK2 (0.79) LRRK2CYP3A4SLCO1B1
SCHEMBL6917773 0.79 LRRK2 (0.65) LRRK2CYP3A4SLCO1B1
SCHEMBL22852878 0.77 LRRK2 (0.56) LRRK2SRPK3
SCHEMBL30294803 0.77 LRRK2 (0.56) LRRK2SRPK3

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 4 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
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

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 1/4885SRPK3 443/4885CYP3A4 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.