SCHEMBL22410900

SCHEMBL22410900

O=C(C1CCCCC1)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.59
▸ ADORA1 P30542 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.57
▸ TSHR P16473 2/20 0.57
▸ HPGD P15428 2/20 0.45
▸ TNKS O95271 4/20 0.40
▸ TNKS2 Q9H2K2 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ SPR P35270 3/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ MEN1 O00255 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
SCHEMBL22410947 0.91 ADORA2A (0.69) ADORA2AADORA1ALDH1A1TSHRHPGD
SCHEMBL22410621 0.85 ADORA2A (0.53) ADORA2AADORA1ALDH1A1TSHRHPGD
SCHEMBL6848943 0.79 TSHR (0.57) ADORA2AADORA1ALDH1A1TSHRHPGD
SCHEMBL6848676 0.74 HPGD (0.53) ADORA2AADORA1ALDH1A1TSHRHPGD
SCHEMBL1031367 0.74 ALDH1A1 (1.00) ALDH1A1TSHRHPGDTNKSTNKS2
SCHEMBL22410640 0.73 ALDH1A1 (0.50) ADORA2AADORA1ALDH1A1TSHRTNKS
SCHEMBL22410903 0.73 ALDH1A1 (0.58) ADORA2AADORA1ALDH1A1TSHRHPGD
SCHEMBL6848735 0.73 TSHR (0.49) ADORA2AADORA1ALDH1A1TSHRHPGD
SCHEMBL28671642 0.71 ALDH1A1 (0.45) ADORA2AADORA1ALDH1A1TSHRHPGD
SCHEMBL22410785 0.71 SPR (0.47) ADORA2AADORA1ALDH1A1TSHRSPR

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 1762/4885ALDH1A1 1508/4885

“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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