SCHEMBL22410903

SCHEMBL22410903

O=C(c1csc2c1CCCC2)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ TSHR P16473 1/20 0.58
▸ HPGD P15428 3/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TNKS O95271 2/20 0.44
▸ TNKS2 Q9H2K2 2/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ SPR P35270 3/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL22410699 0.80 HPGD (0.49) ALDH1A1TSHRHPGDNPSR1RECQL
SCHEMBL22410640 0.78 ALDH1A1 (0.50) ALDH1A1TSHRADORA2AADORA1TNKS
SCHEMBL1031367 0.76 ALDH1A1 (1.00) ALDH1A1TSHRHPGDTNKSTNKS2
SCHEMBL6848676 0.75 HPGD (0.53) ALDH1A1TSHRHPGDADORA2AADORA1
SCHEMBL6848943 0.74 TSHR (0.57) ALDH1A1TSHRHPGDADORA2AADORA1
SCHEMBL22410900 0.73 ADORA2A (0.59) ALDH1A1TSHRHPGDADORA2AADORA1
SCHEMBL22410785 0.73 SPR (0.47) ALDH1A1TSHRADORA2AADORA1SPR
SCHEMBL15173319 0.72 ALDH1A1 (0.76) ALDH1A1TSHRHPGDTNKSTNKS2
SCHEMBL22410664 0.72 ALDH1A1 (0.47) ALDH1A1TSHRADORA2AADORA1TNKS
SCHEMBL28671642 0.71 ALDH1A1 (0.45) ALDH1A1TSHRHPGDADORA2AADORA1

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 ALDH1A1 1508/4885TSHR 2570/4885HPGD 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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