SCHEMBL23918746

SCHEMBL23918746

CCOC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
CASP3 P42574 1/20 0.54
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
GABRA1 P14867 2/20 0.47
GABRA5 P31644 2/20 0.47
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL23918548 0.86 KMT2A (0.56) ALDH1A1CASP3MEN1KMT2AMAPT
SCHEMBL24345181 0.86 CASP3 (0.51) ALDH1A1CASP3MEN1KMT2ATSHR
SCHEMBL4755307 0.86 CASP3 (0.70) ALDH1A1CASP3MEN1KMT2ATSHR
SCHEMBL24379688 0.85 ALDH1A1 (0.53) ALDH1A1CASP3MEN1KMT2AGABRA1
SCHEMBL23910448 0.79 MEN1 (0.58) ALDH1A1CASP3MEN1KMT2AMAPT
SCHEMBL23918756 0.78 ALDH1A1 (0.51) ALDH1A1CASP3MEN1KMT2ATP53
SCHEMBL11488896 0.73 DHPS (0.59) ALDH1A1MAPK1KDM4EGAA
SCHEMBL23918738 0.73 CASP3 (0.51) ALDH1A1CASP3MEN1KMT2AMAPT
SCHEMBL1839329 0.72 CASP3 (0.69) ALDH1A1CASP3MEN1KMT2ATSHR
SCHEMBL2351123 0.71 CASP3 (0.57) ALDH1A1CASP3MEN1KMT2ATSHR

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-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

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 ALDH1A1 1120/4885CASP3 1017/4885MEN1 2887/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 ALDH1A1 1149/4885CASP3 1332/4885MEN1 3591/4885

“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.