SCHEMBL3784645

SCHEMBL3784645

COC(=O)c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
AURKB Q96GD4 4/20 0.34
LCK P06239 1/20 0.34
PTK6 Q13882 1/20 0.34
MARK3 P27448 1/20 0.34
ROCK2 O75116 6/20 0.34
ROCK1 Q13464 5/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MET P08581 1/20 0.32
AURKA O14965 1/20 0.32
KHK P50053 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LDHA P00338 1/20 0.32
BLM P54132 1/20 0.32
CFTR P13569 1/20 0.31

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
SCHEMBL3796191 0.89 MARK3 (0.34) ERN1AURKBLCKPTK6MARK3
SCHEMBL3684324 0.87 AURKB (0.36) AURKBLCKPTK6MARK3ROCK2
SCHEMBL3064176 0.80 NOTUM (0.39) ALDH1A1KDM4EHSD17B10LDHACFTR
SCHEMBL3688606 0.77 AKT1 (0.37) AURKBLCKPTK6MARK3ROCK2
SCHEMBL3690455 0.76 NOTUM (0.37) AURKBLCKPTK6MARK3ROCK2
SCHEMBL3685886 0.76 MARK3 (0.35) AURKBLCKPTK6MARK3ROCK2
SCHEMBL1583821 0.76 PTK6 (0.35) AURKBLCKPTK6MARK3ROCK2
SCHEMBL3687126 0.76 MARK3 (0.35) AURKBLCKPTK6MARK3ROCK2
SCHEMBL13229133 0.74 MARK3 (0.34) AURKBLCKPTK6MARK3BLM
SCHEMBL13229139 0.74 ASPH (0.33) ERN1AURKBLCKPTK6MARK3

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
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 ERN1 237/4885AURKB 1908/4885LCK 2497/4885

“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.