SCHEMBL1865723

SCHEMBL1865723

Cc1ccc(C#N)nc1-c1ccc2c(Nc3ncc(C(F)(F)F)cn3)ccnc2n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.61
MAPK3 P27361 1/20 0.47
TNF P01375 1/20 0.34
ABL1 P00519 1/20 0.34
MAP2K2 P36507 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
ACVR1 Q04771 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
RIPK2 O43353 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL1867152 0.89 TRPV1 (0.70) TRPV1MAPK3
SCHEMBL1861835 0.89 TRPV1 (0.62) TRPV1MAPK3
SCHEMBL1863339 0.86 TRPV1 (0.51) TRPV1MAPK3
SCHEMBL12666024 0.86 TRPV1 (0.47) TRPV1MAPK3TNF
SCHEMBL1860874 0.84 TRPV1 (0.60) TRPV1MAPK3GSK3AGSK3BCLK4
SCHEMBL1861317 0.83 TRPV1 (0.62) TRPV1MAPK3GSK3BRIPK2KDR
SCHEMBL4359835 0.83 TRPV1 (0.79) TRPV1MAPK3
SCHEMBL1871153 0.82 TRPV1 (0.46) TRPV1TNFABL1MAP2K2CSNK1A1
SCHEMBL1857034 0.79 TRPV1 (0.64) TRPV1MAPK3
SCHEMBL12664965 0.79 TRPV1 (0.69) 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 2884/4885TNF 4840/4885

“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.