SCHEMBL22439552

SCHEMBL22439552

CC(C)c1cnc(-c2ccco2)cc1Oc1cnc(N)nc1N

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 16/20 0.58
P2RX2 Q9UBL9 16/20 0.58
DHFR P00374 1/20 0.49

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
SCHEMBL29839589 1.00 P2RX3 (0.58) P2RX3P2RX2DHFR
SCHEMBL29839486 0.83 P2RX3 (0.69) P2RX3P2RX2DHFR
SCHEMBL22439351 0.83 P2RX3 (0.69) P2RX3P2RX2DHFR
SCHEMBL1493932 0.82 P2RX3 (0.72) P2RX3P2RX2DHFR
SCHEMBL30215892 0.82 P2RX3 (0.72) P2RX3P2RX2DHFR
SCHEMBL1494346 0.82 P2RX3 (0.67) P2RX3P2RX2DHFR
SCHEMBL30215744 0.82 P2RX3 (0.67) P2RX3P2RX2DHFR
SCHEMBL22439629 0.77 P2RX3 (0.72) P2RX3P2RX2
SCHEMBL30625063 0.77 P2RX3 (0.72) P2RX3P2RX2
SCHEMBL22439407 0.76 P2RX3 (0.67) 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
EP-3712144-B1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2024-02-14 EP disclosed
US-20220389039-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-12-08 US disclosed
US-20220211703-A1 METHOD FOR TREATING COUGH BY USING DIAMINOPYRIMIDINE COMPOUND BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-07-07 US disclosed
US-20210179648-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-06-17 US disclosed
US-20210179648-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-06-17 US disclosed
EP-3712144-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-09-23 EP disclosed
EP-3712144-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-09-23 EP 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-20210179648-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885DHFR 2884/4885
US-20220389039-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885DHFR 3038/4885
US-20220211703-A1 METHOD FOR TREATING COUGH BY USING DIAMINOPYRIMIDINE COMPOUND NUDT1, DPYD, PEPD P2RX3 276/4885P2RX2 282/4885DHFR 268/4885

“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.