SCHEMBL2087546

SCHEMBL2087546

CSc1cc(N)nc(NC(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
FBP1 P09467 2/20 0.44
ADORA3 P0DMS8 5/20 0.38
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
NR3C2 P08235 3/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GBA1 P04062 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL2088872 0.84 FBP1 (0.50) MEN1KMT2AFBP1ADORA3ALDH1A1
SCHEMBL2087460 0.74 LMNA (0.42) MEN1KMT2AFBP1
SCHEMBL2087264 0.74 MEN1 (0.42) MEN1KMT2AFBP1XIAPBIRC2
SCHEMBL2090059 0.73 NOS3 (0.39) MAPTRAB9ADYRK1A
SCHEMBL2087024 0.71 MEN1 (0.41) MEN1KMT2AXIAPBIRC2NR3C2
SCHEMBL2088839 0.70 ALDH1A1 (0.42) FBP1ALDH1A1MAPTTP53
SCHEMBL2089670 0.70 PLK1 (0.43) MEN1KMT2AFBP1NPC1RAB9A
SCHEMBL2088251 0.70 ALDH1A1 (0.50) MEN1KMT2AADORA3NR3C2ALDH1A1
SCHEMBL2089420 0.69 FBP1 (0.34) FBP1CYP2C19DYRK1A
SCHEMBL2087138 0.69 NOS3 (0.32) FBP1

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 MEN1 1961/4885KMT2A 2517/4885FBP1 1/4885

“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.