SCHEMBL22410892

SCHEMBL22410892

CC1CCCCN1c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccco1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ SPR P35270 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL22410881 0.85 ADORA2A (0.55) ADORA2AADORA1ALDH1A1MAPTMDM2
SCHEMBL22410958 0.84 ADORA2A (0.48) ADORA2AADORA1LMNASMN1; SMN2KDM4E
SCHEMBL22410758 0.82 ADORA2A (0.46) ADORA2AADORA1LMNASMN1; SMN2BCHE
SCHEMBL10272555 0.67 NPSR1 (0.67) LMNASMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL22410661 0.66 ADORA2A (0.55) ADORA2AADORA1SMN1; SMN2ALDH1A1SPR
SCHEMBL22410619 0.66 ADORA2A (0.55) ADORA2AADORA1KDM4EALDH1A1SPR
SCHEMBL22410759 0.66 ADORA2A (0.55) ADORA2AADORA1ALDH1A1SPRKMT2A
SCHEMBL22410947 0.65 ADORA2A (0.69) ADORA2AADORA1ALDH1A1SPRKMT2A
SCHEMBL22410955 0.65 ADORA2A (0.54) ADORA2AADORA1LMNASPRKMT2A
SCHEMBL22410904 0.65 ADORA2A (0.54) ADORA2AADORA1ALDH1A1SPRKMT2A

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 3 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

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 1762/4885LMNA 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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