SCHEMBL1100440

SCHEMBL1100440

Cc1cc(Br)c(NC(=O)N2C=CC(=O)C[C@H]2c2ccc(F)cc2)cc1C#N

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.68
NR3C2 P08235 4/20 0.40
AR P10275 1/20 0.35
CACNA1H O95180 2/20 0.35
PGR P06401 1/20 0.33
CACNA1C Q13936 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
SCHEMBL1100660 0.87 P2RX7 (0.82) P2RX7NR3C2AR
SCHEMBL1100823 0.84 P2RX7 (0.80) P2RX7CACNA1HCACNA1C
SCHEMBL1099960 0.84 P2RX7 (0.88) P2RX7CACNA1H
SCHEMBL1099939 0.82 P2RX7 (0.81) P2RX7CACNA1HCACNA1C
SCHEMBL1098727 0.82 P2RX7 (0.81) P2RX7CACNA1HCACNA1C
SCHEMBL1098502 0.81 P2RX7 (0.68) P2RX7CACNA1HCACNA1CLMNA
SCHEMBL1098504 0.81 P2RX7 (0.68) P2RX7CACNA1HCACNA1CLMNA
SCHEMBL1099236 0.81 P2RX7 (1.00) P2RX7CACNA1H
SCHEMBL1099425 0.81 P2RX7 (0.79) P2RX7CACNA1HCACNA1C
SCHEMBL1100203 0.80 P2RX7 (1.00) P2RX7CACNA1H

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 7 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
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

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 5/4885NR3C2 1224/4885AR 2138/4885

“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.