SCHEMBL2087500

SCHEMBL2087500

CCOc1cc(N)nc(NC(=O)NC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.43
FBP1 P09467 1/20 0.42
RAB9A P51151 5/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GBA1 P04062 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PRKD3 O94806 2/20 0.40
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40
MAP4K4 O95819 1/20 0.40
MAPK10 P53779 1/20 0.40
MAP4K2 Q12851 1/20 0.40

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
SCHEMBL2088251 0.85 ALDH1A1 (0.50) GCKRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2089387 0.84 FBP1 (0.52) GCKFBP1RAB9AMAPTNPC1
SCHEMBL2089403 0.82 CHRNB2 (0.40) GCKRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2089275 0.78 NPC1 (0.46) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL2088000 0.74 FBP1 (0.48) GCKFBP1RAB9AMAPTSMN1; SMN2
SCHEMBL2088223 0.74 TSHR (0.48) MAPTNPC1SMN1; SMN2TP53HSD17B10
SCHEMBL2087730 0.73 FBP1 (0.38) GCKFBP1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2087196 0.73 PLAU (0.37) GCKFBP1MAPTSMN1; SMN2PLK1
SCHEMBL2088872 0.72 FBP1 (0.50) GCKFBP1RAB9AMAPTNPC1
SCHEMBL2087527 0.72 SMN1; SMN2 (0.40) RAB9ANPC1SMN1; SMN2PRKD3MAPK8

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 GCK 24/4885FBP1 1/4885RAB9A 2801/4885

“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.