SCHEMBL5009655

SCHEMBL5009655

COc1cc(C(C)C)c(Oc2cnc(N[C@@H](C)CO)nc2N)cc1I

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 1.00
P2RX2 Q9UBL9 20/20 1.00

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
SCHEMBL5004765 1.00 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL4970553 0.92 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL29529439 0.92 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL1494077 0.88 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL30215762 0.88 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL1494074 0.88 P2RX3 (0.78) P2RX3P2RX2
SCHEMBL5007839 0.86 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL5004758 0.86 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL5004772 0.86 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL5004776 0.86 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
US-20080207655-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2008-08-28 US disclosed
US-20080207655-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2008-08-28 US disclosed
US-20080207655-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2008-08-28 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-20080207655-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators P2RX3, P2RX2, P2RX6 P2RX3 1/4885P2RX2 2/4885

“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.