SCHEMBL5694222

SCHEMBL5694222

CC(=O)Nc1nc(F)nc2nc[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.55
BRAF P15056 1/20 0.50
SRC P12931 3/20 0.46
TNNI3K Q59H18 1/20 0.45
TGFB2 P61812 1/20 0.45
XDH P47989 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
TGFBR1 P36897 1/20 0.42
NEK2 P51955 1/20 0.41
PTK2 Q05397 1/20 0.40
BTK Q06187 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
BRD4 O60885 2/20 0.40
MGMT P16455 1/20 0.40
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39

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
SCHEMBL31506448 0.84 GDA (0.55) GDABRAFSRCXDHPIK3CA
SCHEMBL16146679 0.84 GDA (0.55) GDABRAFSRCTGFB2XDH
SCHEMBL16146528 0.84 GDA (0.55) GDABRAFSRCTGFB2XDH
SCHEMBL750335 0.84 GDA (0.55) GDABRAFSRCXDHPIK3CA
SCHEMBL16146643 0.83 MGMT (0.55) GDABRAFMGMT
SCHEMBL16146725 0.83 GDA (0.54) GDABRAFSRCTGFB2XDH
SCHEMBL5694220 0.83 XDH (0.65) GDABRAFSRCTNNI3KXDH
SCHEMBL16146215 0.83 GDA (0.54) GDABRAFSRCTGFB2XDH
SCHEMBL16145715 0.83 GDA (0.54) GDABRAFSRCTGFB2XDH
SCHEMBL16145843 0.82 GDA (0.52) GDABRAFSRCTGFB2XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 US claimed
US-9938279-B2 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2018-04-10 US disclosed
EP-1525209-B1 1'-, 2'- AND 3' -MODIFIED NUCLEOSIDE DERIVATIVES FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-11-15 EP disclosed
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 US disclosed
US-7662798-B2 2′ and 3′-nucleoside prodrugs for treating Flaviviridae infections IDENIX PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 EP 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 (2 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-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) PRKAG2, PRKAB2, PRKAG1 GDA 1170/4885BRAF 1974/4885SRC 2914/4885
US-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB GDA 716/4885BRAF 1109/4885SRC 4720/4885

“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.