SCHEMBL22410654

SCHEMBL22410654

O=C(c1nccc2ccccc12)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ HPGD P15428 1/20 0.44
▸ TNKS O95271 4/20 0.43
▸ TNKS2 Q9H2K2 4/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MGLL Q99685 10/20 0.42
▸ SPR P35270 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ MTHFD2 P13995 2/20 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
SCHEMBL22410664 0.92 ALDH1A1 (0.47) ADORA2AADORA1TNKSTNKS2KMT2A
SCHEMBL22410661 0.82 ADORA2A (0.55) ADORA2AADORA1HPGDTNKSTNKS2
SCHEMBL22410881 0.78 ADORA2A (0.55) ADORA2AADORA1HPGDTNKSTNKS2
SCHEMBL22410619 0.78 ADORA2A (0.55) ADORA2AADORA1HPGDTNKSTNKS2
SCHEMBL22410613 0.77 ADORA2A (0.54) ADORA2AADORA1HPGDTNKSTNKS2
SCHEMBL22410955 0.77 ADORA2A (0.54) ADORA2AADORA1HPGDTNKSTNKS2
SCHEMBL22410753 0.76 ADORA2A (0.51) ADORA2AADORA1HPGDTNKSTNKS2
SCHEMBL22410759 0.76 ADORA2A (0.55) ADORA2AADORA1HPGDTNKSTNKS2
SCHEMBL22410904 0.75 ADORA2A (0.54) ADORA2AADORA1HPGDTNKSTNKS2
SCHEMBL22410636 0.75 ADORA2A (0.56) ADORA2AADORA1HPGDTNKSTNKS2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2023-03-23 — — US claimed
EP-3938362-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-01-19 — — EP claimed
WO-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 — — WO claimed
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2023-03-23 — — US disclosed
EP-3938362-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-01-19 — — EP disclosed
WO-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 — — WO 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-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES HAVCR2, HCCS, TYMP ADORA2A 701/4885ADORA1 1762/4885HPGD 103/4885

“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.

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