SCHEMBL22410664

SCHEMBL22410664

O=C(c1nccc2ccccc12)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ TNKS O95271 2/20 0.41
▸ TNKS2 Q9H2K2 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MGLL Q99685 4/20 0.41
▸ PARP1 P09874 2/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ SPR P35270 2/20 0.39
▸ APAF1 O14727 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ MTHFD2 P13995 1/20 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
SCHEMBL22410654 0.92 ADORA2A (0.52) ADORA2AADORA1TNKSTNKS2KMT2A
SCHEMBL22410640 0.79 ALDH1A1 (0.50) ALDH1A1TSHRADORA2AADORA1TNKS
SCHEMBL6848735 0.77 TSHR (0.49) ALDH1A1TSHRADORA2AADORA1TNKS
SCHEMBL28671642 0.76 ALDH1A1 (0.45) ALDH1A1TSHRADORA2AADORA1MGLL
SCHEMBL22410661 0.74 ADORA2A (0.55) ALDH1A1ADORA2AADORA1TNKSTNKS2
SCHEMBL6848943 0.73 TSHR (0.57) ALDH1A1TSHRADORA2AADORA1TNKS
SCHEMBL6848676 0.72 HPGD (0.53) ALDH1A1TSHRADORA2AADORA1TNKS
SCHEMBL22410881 0.72 ADORA2A (0.55) ALDH1A1TSHRADORA2AADORA1TNKS
SCHEMBL22410903 0.72 ALDH1A1 (0.58) ALDH1A1TSHRADORA2AADORA1TNKS
SCHEMBL22410900 0.71 ADORA2A (0.59) ALDH1A1TSHRADORA2AADORA1TNKS

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-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

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 ALDH1A1 1508/4885TSHR 2570/4885ADORA2A 701/4885

“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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