SCHEMBL23910425

SCHEMBL23910425

CC(C)(C)OC(=O)n1nc(Cc2ccccn2)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KLK3 P07288 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM5 P41594 1/20 0.36
SLC16A3 O15427 2/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
SLC16A1 P53985 1/20 0.35
POLB P06746 1/20 0.35
ADORA2A P29274 1/20 0.35
PDE10A Q9Y233 1/20 0.35
PARP10 Q53GL7 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30518814 1.00 GPR119 (0.38) GPR119KDM4EALDH1A1KLK3ASIC3
SCHEMBL23500384 0.78 FAAH (0.39) KDM4EL3MBTL1THRB
SCHEMBL23075410 0.71 RIPK1 (0.42) GPR119KDM4EALDH1A1CYP1A2L3MBTL1
SCHEMBL29842483 0.71 RIPK1 (0.42) GPR119KDM4EALDH1A1CYP1A2L3MBTL1
SCHEMBL13516126 0.71 GPR119 (0.40) GPR119KLK3L3MBTL1GRM5LMNA
SCHEMBL63665 0.70 NR3C2 (0.43) KDM4EALDH1A1ADORA2A
SCHEMBL174902 0.70 ALDH1A1 (0.43) KDM4EALDH1A1CYP1A2L3MBTL1LMNA
SCHEMBL25249092 0.69 HSP90AA1 (0.43) KDM4ELMNATHRBPOLBNPC1
SCHEMBL667656 0.69 KDM4E (0.40) KDM4ETHRB
SCHEMBL23500483 0.69 FAAH (0.38) KDM4EALDH1A1THRB

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
CN-111527090-B Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors 拜耳公司 2023-05-26 CN disclosed
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-03 US disclosed
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-03 US disclosed
EP-3700907-B1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AG (DE) 2022-03-09 EP disclosed
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
CN-111527090-A Novel pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors 拜耳公司 2020-08-11 CN 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-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors P2RX3, P2RX1, P2RX5 GPR119 625/4885KDM4E 3924/4885ALDH1A1 1120/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 GPR119 607/4885KDM4E 3993/4885ALDH1A1 1149/4885

“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.