SCHEMBL23918548

SCHEMBL23918548

CCOC(=O)C1=C(O)C(=O)N(Cc2ccncc2)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
CASP3 P42574 3/20 0.55
CDC7 O00311 3/20 0.42
DBF4 Q9UBU7 3/20 0.42
NAMPT P43490 4/20 0.41
KDM4E B2RXH2 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4755307 0.87 CASP3 (0.70) KMT2AALDH1A1MEN1CASP3CHRM5
SCHEMBL23918746 0.86 ALDH1A1 (0.55) KMT2AALDH1A1MEN1CASP3KDM4E
SCHEMBL23910448 0.85 MEN1 (0.58) KMT2AALDH1A1MEN1CASP3KDM4E
SCHEMBL24379688 0.82 ALDH1A1 (0.53) KMT2AALDH1A1MEN1CASP3CHRM1
SCHEMBL6078714 0.81 LIPG (0.43) KMT2AALDH1A1MEN1CASP3KDM4E
SCHEMBL23918756 0.80 ALDH1A1 (0.51) KMT2AALDH1A1MEN1CASP3KDM4E
SCHEMBL29428200 0.78 ALDH1A1 (0.48) KMT2AALDH1A1MEN1CASP3KDM4E
SCHEMBL1839329 0.73 CASP3 (0.69) KMT2AALDH1A1MEN1CASP3GAA
SCHEMBL28925117 0.72 MEN1 (0.50) KMT2AALDH1A1MEN1CASP3CDC7
SCHEMBL23918537 0.72 ALDH1A1 (0.45) KMT2AALDH1A1MEN1CASP3KDM4E

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 KMT2A 4618/4885ALDH1A1 1120/4885MEN1 2887/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 KMT2A 4670/4885ALDH1A1 1149/4885MEN1 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.