SCHEMBL3796191

SCHEMBL3796191

O=Cc1c(C(=O)O)nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 1/20 0.34
AURKB Q96GD4 3/20 0.33
PTK6 Q13882 2/20 0.33
LCK P06239 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
ERN1 O75460 1/20 0.32
ROCK2 O75116 2/20 0.32
KHK P50053 1/20 0.32
NT5E P21589 1/20 0.31
BLM P54132 1/20 0.31
CHEK1 O14757 1/20 0.31
CHEK2 O96017 1/20 0.31
ABL1 P00519 1/20 0.31
PIK3CA P42336 2/20 0.31
DYRK1A Q13627 1/20 0.31
FDPS P14324 1/20 0.31
ESR1 P03372 1/20 0.31
MET P08581 1/20 0.30
NPBWR1 P48145 1/20 0.30

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
SCHEMBL3784645 0.89 ERN1 (0.35) MARK3AURKBPTK6LCKERN1
SCHEMBL3688606 0.86 AKT1 (0.37) MARK3AURKBPTK6LCKAKT1
SCHEMBL3685886 0.85 MARK3 (0.35) MARK3AURKBPTK6LCKAKT1
SCHEMBL1583821 0.85 PTK6 (0.35) MARK3AURKBPTK6LCKAKT1
SCHEMBL3687126 0.85 MARK3 (0.35) MARK3AURKBPTK6LCKAKT1
SCHEMBL13229139 0.81 ASPH (0.33) MARK3AURKBPTK6LCKAKT1
SCHEMBL3064063 0.79 ERN1 (0.46) ERN1NT5ENPBWR1
SCHEMBL13229138 0.77 EPRS1 (0.34)
SCHEMBL13229133 0.77 MARK3 (0.34) MARK3AURKBPTK6LCKBLM
SCHEMBL3684324 0.77 AURKB (0.36) MARK3AURKBPTK6LCKAKT1

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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO 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 MARK3 4574/4885AURKB 1908/4885PTK6 4396/4885

“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.