SCHEMBL22410883

SCHEMBL22410883

CC(C)c1cc(C(=O)N2CCc3c(nc(N(C)C)[nH]c3=O)C2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ SCD5 Q86SK9 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ SHMT2 P34897 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ MTHFD2 P13995 2/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CFTR P13569 2/20 0.32

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
SCHEMBL22410704 0.81 ADORA2A (0.34) HSP90AA1SHMT2ADORA2AADORA1MTHFD2
SCHEMBL22410651 0.78 ADORA2A (0.34) ALDH1A1HSP90AA1ADORA2AADORA1MTHFD2
SCHEMBL22410634 0.76 HSP90AA1 (0.37) HSP90AA1
SCHEMBL22410885 0.74 HPGD (0.46) ALDH1A1SMN1; SMN2MTHFD2NPC1TSHR
SCHEMBL22410765 0.74 SPR (0.35) ALDH1A1LMNAADORA2AADORA1MTHFD2
SCHEMBL22410875 0.74 KCNH2 (0.37) MEN1KMT2AGRM5ADORA2AADORA1
SCHEMBL22410887 0.73 P2RX7 (0.36) ALDH1A1ADORA2AADORA1MTHFD2
SCHEMBL22410719 0.73 P2RX7 (0.35) MEN1ALDH1A1KMT2AADORA2AADORA1
SCHEMBL22410815 0.73 POLB (0.44) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL22410712 0.73 HRH4 (0.51) MEN1KMT2ANPSR1SMN1; SMN2CFTR

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 MEN1 4240/4885ALDH1A1 1508/4885LMNA 2476/4885

“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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