SCHEMBL1098741

SCHEMBL1098741

CSc1cc(N)c(Br)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NR4A1 P22736 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN11 Q06124 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CD44 P16070 1/20 0.33
AHR P35869 3/20 0.32
PDE7A Q13946 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL5776026 0.79 POLB (0.38) GAAPOLBL3MBTL1MEN1APAF1
SCHEMBL22568390 0.78 CD44 (0.48) GAAMEN1ALDH1A1KMT2ACD44
SCHEMBL3342238 0.76 GAA (0.53) GAAPOLBL3MBTL1MEN1APAF1
SCHEMBL8598215 0.74 GAA (0.35) GAAMEN1ALDH1A1MAPTKMT2A
SCHEMBL24770257 0.74 HTR2A (0.41) POLBL3MBTL1
SCHEMBL3341637 0.74 CA12 (0.38) GAAMEN1ALDH1A1KMT2ACA1
SCHEMBL14272795 0.73 CD44 (0.65) GAAPOLBL3MBTL1MEN1APAF1
SCHEMBL22557482 0.72 ALDH1A1 (0.43) GAAL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL15362374 0.71 MEN1 (0.44) MEN1ALDH1A1THRBKMT2AAHR
SCHEMBL8444669 0.70 GAA (0.60) GAAPOLBMEN1ALDH1A1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 EP disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 GAA 4302/4885POLB 4130/4885L3MBTL1 4395/4885

“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.