SCHEMBL2088872

SCHEMBL2088872

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.50
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
GBA1 P04062 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAP4K1 Q92918 2/20 0.34
PLK1 P53350 1/20 0.34
GCK P35557 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL2087546 0.84 MEN1 (0.54) FBP1MEN1KMT2AADORA3SMN1; SMN2
SCHEMBL2088000 0.78 FBP1 (0.48) FBP1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2087730 0.76 FBP1 (0.38) FBP1SMN1; SMN2MAPTMAP4K1GCK
SCHEMBL2087196 0.76 PLAU (0.37) FBP1SMN1; SMN2MAPTMAP4K1PLK1
SCHEMBL2088258 0.76 FBP1 (0.55) FBP1SMN1; SMN2ALDH1A1
SCHEMBL2089387 0.75 FBP1 (0.52) FBP1MEN1KMT2AADORA3SMN1; SMN2
SCHEMBL2087527 0.75 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1MAP4K1ALDH1A1
SCHEMBL2089670 0.74 PLK1 (0.43) FBP1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL2089680 0.74 KMT2A (0.40) FBP1KMT2ASMN1; SMN2MAPTMAP4K1
SCHEMBL2089364 0.73 MAP4K1 (0.36) FBP1KMT2ASMN1; SMN2MAPTMAP4K1

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 1/4885MEN1 1961/4885KMT2A 2517/4885

“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.