SCHEMBL1865584

SCHEMBL1865584

Cc1cc(C#N)cnc1-c1cnc2c(Nc3cnc(C(F)(F)F)cn3)ccnc2n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.63
MAOA P21397 1/20 0.44
KCNH2 Q12809 1/20 0.44
LRRK2 Q5S007 3/20 0.36
SYK P43405 2/20 0.32
MAPK3 P27361 1/20 0.32
DYRK3 O43781 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
STK17A Q9UEE5 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31

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
SCHEMBL1864191 0.90 TRPV1 (0.77) TRPV1MAOAKCNH2MAPK3DYRK3
SCHEMBL1862496 0.88 TRPV1 (0.48) TRPV1MAOAKCNH2LRRK2
SCHEMBL12664964 0.87 TRPV1 (0.82) TRPV1MAOAKCNH2LRRK2MAPK3
SCHEMBL1862863 0.87 TRPV1 (0.61) TRPV1LRRK2MAPK3DYRK3GSK3A
SCHEMBL12629849 0.84 TRPV1 (0.49) TRPV1MAOAKCNH2MAPK3
SCHEMBL12665832 0.83 TRPV1 (0.65) TRPV1MAOAKCNH2LRRK2MAPK3
SCHEMBL1864810 0.81 TRPV1 (0.59) TRPV1MAOAKCNH2MAPK3
SCHEMBL1865352 0.80 TRPV1 (0.52) TRPV1MAOAKCNH2MAPK3CLK4
SCHEMBL1859430 0.77 TRPV1 (0.46) TRPV1LRRK2DYRK3GSK3AGSK3B
SCHEMBL1860600 0.77 TRPV1 (1.00) TRPV1MAOAKCNH2MAPK3DYRK3

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.