SCHEMBL1098677

SCHEMBL1098677

COc1cc(NC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)c(Br)cc1C(N)=O

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.83
ROCK2 O75116 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CACNA1H O95180 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1098676 1.00 P2RX7 (0.83) P2RX7ROCK2SMN1; SMN2ALDH1A1HPGD
SCHEMBL1099251 0.93 P2RX7 (0.86) P2RX7ROCK2SMN1; SMN2ALDH1A1HPGD
SCHEMBL1099254 0.93 P2RX7 (0.86) P2RX7ROCK2SMN1; SMN2ALDH1A1HPGD
SCHEMBL1098877 0.92 P2RX7 (0.84) P2RX7ROCK2SMN1; SMN2ALDH1A1HPGD
SCHEMBL1098874 0.92 P2RX7 (0.84) P2RX7ROCK2SMN1; SMN2ALDH1A1HPGD
SCHEMBL1099236 0.91 P2RX7 (1.00) P2RX7SMN1; SMN2HSD17B10CACNA1HPOLB
SCHEMBL1100203 0.90 P2RX7 (1.00) P2RX7ROCK2SMN1; SMN2HSD17B10CACNA1H
SCHEMBL1098421 0.89 P2RX7 (0.79) P2RX7ROCK2SMN1; SMN2ALDH1A1HPGD
SCHEMBL1098423 0.89 P2RX7 (0.79) P2RX7ROCK2SMN1; SMN2ALDH1A1HPGD
SCHEMBL1099960 0.88 P2RX7 (0.88) P2RX7SMN1; SMN2HSD17B10CACNA1H

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
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
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
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 P2RX7 5/4885ROCK2 4613/4885SMN1; SMN2 2596/4885

“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.