SCHEMBL22410640

SCHEMBL22410640

O=C(c1ccccc1F)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PARP1 P09874 5/20 0.46
▸ PIK3CA P42336 5/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ GABRA1 P14867 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ TNKS O95271 2/20 0.44
▸ TNKS2 Q9H2K2 2/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SPR P35270 3/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ MGLL Q99685 1/20 0.42

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
SCHEMBL22410619 0.91 ADORA2A (0.55) ALDH1A1ADORA2AADORA1GABRA1GABRA5
SCHEMBL22410613 0.90 ADORA2A (0.54) ALDH1A1ADORA2AADORA1GABRA1GABRA5
SCHEMBL22410801 0.85 SPR (0.43) ADORA2AADORA1GABRA1GABRA5GABRA3
SCHEMBL22410664 0.79 ALDH1A1 (0.47) ALDH1A1TSHRPARP1PIK3CAADORA2A
SCHEMBL28671642 0.79 ALDH1A1 (0.45) ALDH1A1TSHRADORA2AADORA1SPR
SCHEMBL22410903 0.78 ALDH1A1 (0.58) ALDH1A1TSHRADORA2AADORA1TNKS
SCHEMBL6848735 0.78 TSHR (0.49) ALDH1A1TSHRADORA2AADORA1TNKS
SCHEMBL6848943 0.76 TSHR (0.57) ALDH1A1TSHRPIK3CAADORA2AADORA1
SCHEMBL22410785 0.75 SPR (0.47) ALDH1A1TSHRADORA2AADORA1SPR
SCHEMBL6848676 0.75 HPGD (0.53) ALDH1A1TSHRPARP1ADORA2AADORA1

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 4 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

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 2570/4885PARP1 941/4885

“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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