SCHEMBL22410875

SCHEMBL22410875

CCCc1nc(C(=O)N2CCc3c(nc(N(C)C)[nH]c3=O)C2)cs1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.37
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MTHFD2 P13995 2/20 0.32
▸ SLC40A1 Q9NP59 2/20 0.31
▸ ITK Q08881 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ MDM2 Q00987 1/20 0.30
▸ TRPC3 Q13507 1/20 0.30
▸ TRPC6 Q9Y210 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ SPR P35270 2/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM3 P20309 1/20 0.30

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 0.75 HPGD (0.49) MEN1KMT2ASPR
SCHEMBL22410899 0.75 ALDH1A1 (0.39) ADORA2AADORA1MEN1KMT2ANAMPT
SCHEMBL22410887 0.75 P2RX7 (0.36) ADORA2AADORA1MTHFD2SPR
SCHEMBL22410883 0.74 MEN1 (0.41) ADORA2AADORA1GRM5MEN1KMT2A
SCHEMBL22410618 0.73 SPR (0.45) SPR
SCHEMBL22410611 0.73 HTT (0.47) ADORA2AADORA1MTHFD2
SCHEMBL22410712 0.72 HRH4 (0.51) MEN1KMT2A
SCHEMBL22410651 0.72 ADORA2A (0.34) ADORA2AADORA1MTHFD2SPR
SCHEMBL22410943 0.71 ADORA2A (0.37) ADORA2AADORA1MTHFD2SPR
SCHEMBL22410719 0.71 P2RX7 (0.35) ADORA2AADORA1MEN1KMT2AMTHFD2

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 KCNH2 4743/4885ADORA2A 701/4885ADORA1 1762/4885

“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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