SCHEMBL1099018

SCHEMBL1099018

COc1cc(NC(=O)N2C=CC(=O)C[C@H]2c2cccc(F)c2)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.58
HTT P42858 1/20 0.42
GRM4 Q14833 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1100283 0.94 P2RX7 (0.59) P2RX7HTTSMN1; SMN2MAPT
SCHEMBL1098867 0.93 P2RX7 (0.60) P2RX7HTTSMN1; SMN2NPC1RAB9A
SCHEMBL1100584 0.92 P2RX7 (0.59) P2RX7HTTGRM4SMN1; SMN2NPC1
SCHEMBL1101227 0.89 P2RX7 (0.71) P2RX7GRM4SMN1; SMN2MAPTKMT2A
SCHEMBL1100044 0.83 P2RX7 (0.74) P2RX7HTTSMN1; SMN2MAPTKMT2A
SCHEMBL1100737 0.83 P2RX7 (0.81) P2RX7HTT
SCHEMBL1100305 0.82 P2RX7 (0.74) P2RX7HTTMAPTKMT2A
SCHEMBL1100251 0.81 P2RX7 (0.71) P2RX7MEN1MAPTKMT2A
SCHEMBL1100194 0.81 P2RX7 (0.73) P2RX7GRM4SMN1; SMN2MAPTKMT2A
SCHEMBL1101427 0.79 P2RX7 (0.69) P2RX7SMN1; SMN2

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 5/4885HTT 1038/4885GRM4 664/4885

“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.