SCHEMBL23910438

SCHEMBL23910438

O=C1c2ccccc2C(=O)N1C[C@@H]1COCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
RPS6KA3 P51812 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KEAP1 Q14145 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRM5 P41594 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL20445846 0.82 IL1B (0.43) SMN1; SMN2MAPK1LMNACYP1A2CYP2C19
SCHEMBL29428225 0.82 IL1B (0.43) SMN1; SMN2MAPK1LMNACYP1A2CYP2C19
SCHEMBL20956786 0.80 HRH3 (0.48) MAPK1CYP1A2CYP2C19CYP2C9CA12
SCHEMBL5430075 0.80 HRH3 (0.48) MAPK1CYP1A2CYP2C19CYP2C9CA12
SCHEMBL28665643 0.77 KMT2A (0.45) SMN1; SMN2MAPK1CA12CA9MEN1
SCHEMBL21551126 0.76 KEAP1 (0.47) CA12CA9KEAP1NFE2L2
SCHEMBL14646637 0.76 DPP4 (0.57)
SCHEMBL14645771 0.76 DPP4 (0.57)
SCHEMBL9055385 0.74 RAB9A (0.45) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL4298286 0.73 CA12 (0.44) MAPK1CYP1A2CYP2C19CYP2C9CA12

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 4 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
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
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 (1 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-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 SMN1; SMN2 922/4885MAPK1 1802/4885LMNA 2972/4885

“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.