SCHEMBL30215748

SCHEMBL30215748

COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 1.00
P2RX2 Q9UBL9 6/20 1.00
DHFR P00374 1/20 0.82

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
SCHEMBL1493976 1.00 P2RX3 (1.00) P2RX3P2RX2DHFR
SCHEMBL1493951 0.90 P2RX3 (0.82) P2RX3P2RX2DHFR
SCHEMBL30215842 0.90 P2RX3 (0.82) P2RX3P2RX2DHFR
SCHEMBL1494148 0.89 P2RX3 (0.80) P2RX3P2RX2DHFR
SCHEMBL30215897 0.89 P2RX3 (0.80) P2RX3P2RX2DHFR
SCHEMBL1493991 0.89 P2RX3 (0.92) P2RX3P2RX2DHFR
SCHEMBL30215839 0.89 P2RX3 (0.92) P2RX3P2RX2DHFR
SCHEMBL18712629 0.87 P2RX3 (0.76) P2RX3P2RX2DHFR
SCHEMBL13842542 0.86 P2RX3 (0.75) P2RX3P2RX2DHFR
SCHEMBL18712627 0.86 P2RX3 (0.74) P2RX3P2RX2DHFR

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-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2025-02-27 US disclosed
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2025-01-23 US disclosed
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2023-03-30 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 (3 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-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 P2RX3 1/4885P2RX2 3/4885DHFR 1126/4885
US-20230100975-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 P2RX3 1/4885P2RX2 3/4885DHFR 1126/4885
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885DHFR 1648/4885

“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.