SCHEMBL5120843

SCHEMBL5120843

Cc1snnc1-c1ccc2c(Nc3ncc(C(F)(F)F)cn3)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.49
GAK O14976 1/20 0.40
ALK Q9UM73 6/20 0.38
KDR P35968 2/20 0.36
RIPK2 O43353 1/20 0.36
MAPK14 Q16539 1/20 0.36
TGFBR1 P36897 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PLK4 O00444 1/20 0.35
DYRK3 O43781 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CHEK2 O96017 1/20 0.35
FGFR1 P11362 1/20 0.35
CDK2 P24941 1/20 0.35
FLT4 P35916 1/20 0.35
CLK2 P49760 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 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
SCHEMBL5122114 0.89 TRPV1 (0.50) TRPV1GAKALKKDRRIPK2
SCHEMBL5113971 0.88 TRPV1 (0.65) TRPV1GAKDYRK3GSK3AGSK3B
SCHEMBL5125014 0.84 TRPV1 (0.50) TRPV1GAKALKKDRRIPK2
SCHEMBL5117199 0.83 TRPV1 (0.42) TRPV1GAKKDRAURKB
SCHEMBL1863072 0.80 TRPV1 (0.57) TRPV1GAKALKKDRRIPK2
SCHEMBL1861672 0.80 TRPV1 (0.56) TRPV1GAKALKTGFBR1
SCHEMBL5128632 0.79 TRPV1 (0.51) TRPV1GAKALKKDRRIPK2
SCHEMBL5929308 0.79 HTR1A (0.52) TRPV1GAKKDRRIPK2MAPK14
SCHEMBL5929330 0.77 GAK (0.57) TRPV1GAKKDRRIPK2MAPK14
SCHEMBL12629696 0.77 TRPV1 (0.49) TRPV1GAKALKKDRRIPK2

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 477/4885GAK 3214/4885ALK 726/4885

“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.