SCHEMBL5367608

SCHEMBL5367608

CC(C)(C)Cn1c(CO)nc2c(Cl)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.39
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
FDPS P14324 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADORA2A P29274 3/20 0.31
ADORA2B P29275 3/20 0.31
ADORA1 P30542 3/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
P2RX7 Q99572 1/20 0.31
ADORA3 P0DMS8 2/20 0.31
GRM2 Q14416 1/20 0.30
NR2F2 P24468 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
SCHEMBL5362617 0.86 FBP1 (0.37) FBP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5376646 0.81 FBP1 (0.37) FBP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5362792 0.73 FBP1 (0.41) FBP1MEN1KMT2AMAPK1ADORA2A
SCHEMBL15731691 0.69 ADORA2A (0.42) FBP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL15720273 0.67 ADORA2A (0.46) FBP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL8334108 0.67 FBP1 (0.45) FBP1FDPSGRM2
SCHEMBL15718494 0.67 PIK3CD (0.47) FDPSMEN1KMT2ACYP1A2TDP1
SCHEMBL15719155 0.66 ADORA2A (0.45) FBP1MEN1KMT2AADORA2AADORA2B
SCHEMBL5362049 0.66 FBP1 (0.36) FBP1FDPS
SCHEMBL21685107 0.65 CYP1A2 (0.44) PI4KAPI4K2BPI4K2API4KBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285543-B2 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-23 US disclosed
US-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase DANG QUN 2005-12-15 US disclosed
US-6967193-B1 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2005-11-22 US disclosed
US-6284748-B1 ANTIDIABETIC AGENT METABASIS THERAPEUTICS, INC. 2001-09-04 US disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 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-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase FBP1, PNP, PPA1 FBP1 1/4885PI4KA 1738/4885PI4K2B 1456/4885

“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.