SCHEMBL1862863

SCHEMBL1862863

Cc1cc(C#N)cnc1-c1ccc2c(Nc3cnc(C(F)(F)F)cn3)ccnc2n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.61
MAPK3 P27361 1/20 0.45
LRRK2 Q5S007 2/20 0.37
DYRK3 O43781 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
STK17A Q9UEE5 1/20 0.35

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
SCHEMBL1862336 0.87 TRPV1 (0.63) TRPV1MAPK3DYRK3GSK3AGSK3B
SCHEMBL1865584 0.87 TRPV1 (0.63) TRPV1MAPK3LRRK2DYRK3GSK3A
SCHEMBL12629883 0.84 TRPV1 (0.61) TRPV1MAPK3
SCHEMBL1860874 0.83 TRPV1 (0.60) TRPV1MAPK3LRRK2DYRK3GSK3A
SCHEMBL4357909 0.83 TRPV1 (0.80) TRPV1MAPK3
SCHEMBL1859430 0.83 TRPV1 (0.46) TRPV1LRRK2DYRK3GSK3AGSK3B
SCHEMBL1862496 0.79 TRPV1 (0.48) TRPV1LRRK2
SCHEMBL1859492 0.77 TRPV1 (0.77) TRPV1MAPK3
SCHEMBL1864191 0.77 TRPV1 (0.77) TRPV1MAPK3DYRK3GSK3AGSK3B
SCHEMBL4364600 0.76 TRPV1 (1.00) TRPV1MAPK3

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 549/4885MAPK3 2884/4885LRRK2 1071/4885

“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.