SCHEMBL2089387

SCHEMBL2089387

CNC(=O)Nc1cc(OC)cc(N)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.52
FGFR1 P11362 1/20 0.48
CREBBP Q92793 2/20 0.46
GCK P35557 3/20 0.43
ADORA3 P0DMS8 4/20 0.41
IKBKB O14920 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK1 P23458 1/20 0.37
GBA1 P04062 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2087960 0.84 FBP1 (0.46) FBP1ADORA3NPC1RAB9AMEN1
SCHEMBL2087500 0.84 GCK (0.43) FBP1FGFR1GCKADORA3NPC1
SCHEMBL19657672 0.83 FBP1 (0.49) FBP1FGFR1CREBBPGCKADORA3
SCHEMBL2088453 0.81 HPGD (0.46) FBP1FGFR1ADORA3NPC1RAB9A
SCHEMBL19657645 0.81 FBP1 (0.48) FBP1FGFR1CREBBPGCKADORA3
SCHEMBL2088080 0.80 FBP1 (0.43) FBP1FGFR1ADORA3NPC1RAB9A
SCHEMBL21024032 0.79 ALDH1A1 (0.46) FBP1FGFR1CREBBPGCKADORA3
SCHEMBL19657958 0.79 FBP1 (0.47) FBP1FGFR1CREBBPGCKADORA3
SCHEMBL2088000 0.78 FBP1 (0.48) FBP1FGFR1GCKRAB9AMEN1
SCHEMBL2087730 0.76 FBP1 (0.38) FBP1CREBBPGCKIKBKBMAPT

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 1/4885FGFR1 179/4885CREBBP 642/4885

“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.