SCHEMBL6848705

SCHEMBL6848705

CC1CCN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2cc[nH]n2)C3)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ TNKS O95271 8/20 0.41
▸ TNKS2 Q9H2K2 8/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SPR P35270 5/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ DCTPP1 Q9H773 2/20 0.37

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
SCHEMBL22410636 0.89 ADORA2A (0.56) ADORA2AADORA1TNKSTNKS2ALDH1A1
SCHEMBL22410820 0.88 ADORA2A (0.55) ADORA2AADORA1TNKSTNKS2ALDH1A1
SCHEMBL22410633 0.87 ADORA2A (0.43) ADORA2AADORA1TNKSTNKS2ALDH1A1
SCHEMBL22410803 0.82 ADORA2A (0.48) ADORA2AADORA1TNKSTNKS2SPR
SCHEMBL22410625 0.82 ADORA2A (0.48) ADORA2AADORA1TNKSTNKS2ALDH1A1
SCHEMBL22410958 0.80 ADORA2A (0.48) ADORA2AADORA1TNKSTNKS2ALDH1A1
SCHEMBL22410722 0.77 ADORA2A (0.50) ADORA2AADORA1SPR
SCHEMBL22410959 0.77 SPR (0.50) ADORA2AADORA1SPR
SCHEMBL22410632 0.76 ADORA2A (0.48) ADORA2AADORA1SPR
SCHEMBL22410957 0.74 SPR (0.47) ADORA2AADORA1SPR

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
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
WO-2011111880-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING DISEASES CAUSED BY THE NUCLEAR EXPORT OF GSK3, INCLUDING A COMPOUND FOR INHIBITING THE NUCLEAR EXPORT OF GSK3 주식회사 메디젠텍 (KR) 2011-09-15 — — 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 1762/4885TNKS 903/4885

“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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