SCHEMBL3910159

SCHEMBL3910159

Nc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.53
ADORA1 P30542 2/20 0.53
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 1/20 0.43
DPP4 P27487 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
TOP1 P11387 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
AR P10275 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3898550 0.87 ADORA2A (0.72) ADORA2AADORA1KDM4EHSD17B10DPP4
SCHEMBL28071862 0.86 ADORA2A (0.59) ADORA2AADORA1KDM4EHSD17B10DPP4
SCHEMBL3898780 0.79 ADORA2A (0.51) ADORA2AADORA1KDM4EHSD17B10DPP4
SCHEMBL22234018 0.78 KIF11 (0.52) ADORA2AADORA1DPP4ADORA3NPC1
SCHEMBL26547922 0.76 KIF11 (0.61) ALDH1A1KIF11
SCHEMBL26548374 0.76 KIF11 (0.61) ALDH1A1KIF11
SCHEMBL26820145 0.76 KIF11 (0.61) ALDH1A1KIF11
SCHEMBL26820138 0.76 KIF11 (0.61) ALDH1A1KIF11
SCHEMBL22389484 0.76 KIF11 (0.61) ALDH1A1KIF11
SCHEMBL6531140 0.76 ADORA2A (0.54) ADORA2AADORA1KDM4EADORA3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 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-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ADORA2A 1207/4885ADORA1 1800/4885CYP1A1 2228/4885

“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.