SCHEMBL5117810

SCHEMBL5117810

FC(F)(F)c1ccc(Nc2ccnc3cc(-c4ncsc4C(F)(F)F)ccc23)nc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.67
MAPK3 P27361 1/20 0.45
MAPK10 P53779 1/20 0.40
DYRK3 O43781 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
STK17A Q9UEE5 1/20 0.40
GAK O14976 1/20 0.40
ALK Q9UM73 1/20 0.40
RIPK2 O43353 1/20 0.39
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
TGFBR1 P36897 1/20 0.39

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
SCHEMBL5117433 0.89 TRPV1 (0.66) TRPV1MAPK3MAPK10DYRK3GSK3A
SCHEMBL5128632 0.88 TRPV1 (0.51) TRPV1DYRK3GSK3AGSK3BDYRK1A
SCHEMBL5117740 0.85 TRPV1 (0.66) TRPV1MAPK3MAPK10DYRK3GSK3A
SCHEMBL4362074 0.80 TRPV1 (1.00) TRPV1MAPK3
SCHEMBL5113971 0.80 TRPV1 (0.65) TRPV1MAPK3MAPK10DYRK3GSK3A
SCHEMBL5128105 0.80 TRPV1 (1.00) TRPV1MAPK3
SCHEMBL5128092 0.79 TRPV1 (0.47) TRPV1DYRK3DYRK1ACLK4STK17A
SCHEMBL1863016 0.78 TRPV1 (0.65) TRPV1MAPK3MAPK10DYRK3GSK3A
SCHEMBL5929146 0.78 TRPV1 (0.64) TRPV1MAPK3MAPK10DYRK3GSK3A
SCHEMBL5122104 0.78 TRPV1 (0.46) TRPV1GSK3AGSK3BCLK4GAK

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-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 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-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 TRPV1 477/4885MAPK3 3125/4885MAPK10 3752/4885

“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.