SCHEMBL2087264

SCHEMBL2087264

NC(=O)Nc1cc(Br)cc(N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FBP1 P09467 1/20 0.40
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
PABPC1 P11940 1/20 0.34
RAB9A P51151 1/20 0.34
NR3C2 P08235 6/20 0.33
RGS12 O14924 1/20 0.33
LMNA P02545 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
KIF11 P52732 1/20 0.32
DYRK1A Q13627 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2088000 0.81 FBP1 (0.48) MEN1KMT2AFBP1MAPTRAB9A
SCHEMBL2088216 0.80 FBP1 (0.40) FBP1TSHRKDM4E
SCHEMBL19873336 0.80 ABL1 (0.50) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL28782597 0.80 FBP1 (0.40) MEN1KMT2AFBP1NPC1MAPT
SCHEMBL18754355 0.76 BIRC2 (0.43) FBP1XIAPBIRC2
SCHEMBL2087546 0.74 MEN1 (0.54) MEN1KMT2AFBP1NPC1MAPT
SCHEMBL2087024 0.71 MEN1 (0.41) MEN1KMT2ANR3C2XIAPBIRC2
SCHEMBL2088251 0.70 ALDH1A1 (0.50) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL1181671 0.70
SCHEMBL13403439 0.69 XIAP (0.62) MEN1KMT2ANPC1MAPTRAB9A

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 5 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
CN-102026978-A Pyridine compounds HOFFMANN LA ROCHE 2011-04-20 CN 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.