SCHEMBL2249103

SCHEMBL2249103

COc1cc(Oc2cnc(NC3CCSCC3)nc2N)c(C(C)C)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 19/20 0.67
P2RX2 Q9UBL9 19/20 0.67

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
SCHEMBL30215907 1.00 P2RX3 (0.67) P2RX3P2RX2
SCHEMBL19364011 0.93 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL19364009 0.91 P2RX3 (0.71) P2RX3P2RX2
SCHEMBL30215805 0.89 P2RX3 (0.64) P2RX3P2RX2
SCHEMBL1493927 0.89 P2RX3 (0.64) P2RX3P2RX2
SCHEMBL19363991 0.88 P2RX3 (0.85) P2RX3P2RX2
SCHEMBL18084465 0.87 P2RX3 (0.68) P2RX3P2RX2
SCHEMBL5529795 0.86 P2RX3 (0.65) P2RX3P2RX2
Hydrochloric Acid SCHEMBL21315695 0.85 P2RX3 (0.64) P2RX3P2RX2
Hydrochloric Acid SCHEMBL30215848 0.85 P2RX3 (0.64) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008071-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2021-01-14 US disclosed
US-20180311240-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2018-11-01 US disclosed
EP-2343282-B1 Diaminopyrimidines as P2X3 and P2X2/3 antagonists HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-1924264-B9 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2014-02-19 EP disclosed
EP-1924264-B1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2013-09-18 EP disclosed
US-8524725-B2 Methods of using diaminopyrimidine as P2X3 and P2X⅔ receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC (US) 2013-09-03 US disclosed
US-8008313-B2 Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC (US) 2011-08-30 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 (2 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-20210008071-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885
US-20180311240-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 P2RX3 1/4885P2RX2 2/4885

“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.