SCHEMBL1864050

SCHEMBL1864050

COc1ccc(C)c(-c2cnc3c(Nc4ncc(C(F)(F)F)cn4)ccnc3n2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.48
MAOA P21397 1/20 0.43
KCNH2 Q12809 1/20 0.43
GSK3B P49841 3/20 0.34
MAPK3 P27361 2/20 0.34
CDK2 P24941 2/20 0.33
LRRK2 Q5S007 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
STK16 O75716 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL1864375 0.90 TRPV1 (0.55) TRPV1MAOAKCNH2MAPK3LRRK2
SCHEMBL12667094 0.86 TRPV1 (0.36) TRPV1MAOAKCNH2
SCHEMBL1861317 0.86 TRPV1 (0.62) TRPV1GSK3BMAPK3
SCHEMBL1863339 0.83 TRPV1 (0.51) TRPV1MAOAKCNH2MAPK3
SCHEMBL1860063 0.83 TRPV1 (0.49) TRPV1MAOAKCNH2GSK3BMAPK3
SCHEMBL1870107 0.80 TRPV1 (0.58) TRPV1MAOAKCNH2MAPK3
SCHEMBL1861440 0.80 TRPV1 (0.58) TRPV1MAOAKCNH2MAPK3LRRK2
SCHEMBL1864622 0.78 TRPV1 (0.61) TRPV1MAOAKCNH2MAPK3
SCHEMBL12665832 0.77 TRPV1 (0.65) TRPV1MAOAKCNH2GSK3BMAPK3
SCHEMBL12629698 0.77 TRPV1 (0.51) TRPV1MAOAKCNH2MAPK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
US-7935702-B2 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2011-05-03 US disclosed
US-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2006-05-25 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-20060111337-A1 Substituted biaryl quinolin-4-ylamine analogues PIGS, GPR52, GPR174 TRPV1 549/4885MAOA 582/4885KCNH2 2767/4885

“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.