SCHEMBL2088080

SCHEMBL2088080

COc1cc(N)nc(NC(=O)N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.43
ADORA3 P0DMS8 5/20 0.40
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
FGFR1 P11362 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL2089403 0.84 CHRNB2 (0.40) ADORA3MAPK8MAPK9NPC1TP53
SCHEMBL27258903 0.83 SMN1; SMN2 (0.45) ADORA3PIK3CAPIK3CGNPC1TP53
SCHEMBL2087960 0.83 FBP1 (0.46) FBP1ADORA3MAPK8MAPK9NPC1
SCHEMBL2089387 0.80 FBP1 (0.52) FBP1ADORA3FGFR1NPC1RAB9A
SCHEMBL2088216 0.78 FBP1 (0.40) FBP1HDAC3HDAC1HDAC2TP53
SCHEMBL11446844 0.74 XIAP (0.59) HDAC3HDAC1HDAC2NPC1TP53
SCHEMBL2088453 0.74 HPGD (0.46) FBP1ADORA3PIK3CAFGFR1MAPK8
SCHEMBL23169217 0.72 KMT2A (0.58) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL31492254 0.72 NR3C2 (0.49) ADORA3NPC1TP53NFKB1RAB9A
SCHEMBL2088060 0.70 NOS3 (0.54) FGFR1NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2227452-A2 PYRIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009068468-A2 PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 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-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES FBP1, PDXK, G6PC1 FBP1 1/4885ADORA3 2562/4885PIK3CA 1073/4885

“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.