SCHEMBL3084949

SCHEMBL3084949

COc1cc(C(C)C)c(Oc2cnc(N)nc2C(N)=O)cc1I

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 18/20 0.71
P2RX2 Q9UBL9 18/20 0.71

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
SCHEMBL3104187 0.84 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL29448550 0.83 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL1494138 0.83 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL29358827 0.83 P2RX3 (1.00) P2RX3P2RX2
Hydrochloric Acid SCHEMBL2482416 0.82 P2RX3 (0.97) P2RX3P2RX2
SCHEMBL3103826 0.82 P2RX3 (0.71) P2RX3P2RX2
SCHEMBL3098836 0.80 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL3098581 0.79 P2RX3 (0.64) P2RX3P2RX2
SCHEMBL1493889 0.79 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL30215815 0.79 P2RX3 (1.00) 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 3 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
US-7799796-B2 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (US) 2010-09-21 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.