SCHEMBL3090903

SCHEMBL3090903

COc1cc(C(C)C)c(Oc2cnc(NC(=O)C(N)C(C)C)nc2N)cc1I

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.83
P2RX2 Q9UBL9 20/20 0.83

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
SCHEMBL13154097 0.94 P2RX3 (0.80) P2RX3P2RX2
SCHEMBL3087024 0.91 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL13154093 0.91 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL3086748 0.88 P2RX3 (0.83) P2RX3P2RX2
SCHEMBL29650374 0.88 P2RX3 (0.83) P2RX3P2RX2
SCHEMBL3086851 0.87 P2RX3 (0.82) P2RX3P2RX2
SCHEMBL3091239 0.85 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL4410783 0.85 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL3101474 0.85 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL3085036 0.84 P2RX3 (0.77) P2RX3P2RX2

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-1924566-B1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2016-01-13 EP disclosed
EP-1924566-B1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2016-01-13 EP disclosed
US-7799796-B2 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (US) 2010-09-21 US disclosed
US-7799796-B2 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (US) 2010-09-21 US disclosed
US-7799796-B2 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (US) 2010-09-21 US disclosed
EP-1924566-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025901-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049534-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049534-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049534-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2007-03-01 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-20070049534-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators P2RX3, P2RX1, P2RX6 P2RX3 1/4885P2RX2 4/4885

“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.