SCHEMBL12376693

SCHEMBL12376693

CC(C)(C)NC(=O)c1ncoc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.59
KDM4E B2RXH2 2/20 0.54
FBP1 P09467 1/20 0.51
GSK3B P49841 3/20 0.51
GAA P10253 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
FPR2 P25090 3/20 0.47
HCRTR2 O43614 5/20 0.44
HCRTR1 O43613 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL12410295 0.86 ADORA2A (0.54) ADORA2AKDM4EFBP1GSK3BGAA
SCHEMBL12954646 0.83 ADORA2A (0.64) ADORA2AKDM4EFBP1GSK3BGAA
SCHEMBL13312245 0.78 ADORA2A (0.70) ADORA2AKDM4EFBP1GSK3BGAA
SCHEMBL27633480 0.77 ADORA2A (0.74) ADORA2AKDM4EFBP1GSK3BGAA
SCHEMBL287658 0.77 ADORA2A (0.74) ADORA2AKDM4EFBP1GSK3BGAA
SCHEMBL1969272 0.77 ADORA2A (0.64) ADORA2AKDM4EFBP1GSK3BGAA
SCHEMBL31050965 0.75 FPR2 (0.48) KDM4EGAAMEN1KMT2AFPR2
SCHEMBL9586590 0.75 ADORA2A (0.57) ADORA2AKDM4EFBP1GSK3BGAA
SCHEMBL6372051 0.75 ADORA2A (0.60) ADORA2AKDM4EFBP1GSK3BGAA
SCHEMBL631985 0.74 ADORA2A (0.70) ADORA2AKDM4EFBP1GSK3BGAA

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-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC ADORA2A 1643/4885KDM4E 3968/4885FBP1 1947/4885

“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.