SCHEMBL22410958

SCHEMBL22410958

CC1CCN(c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccco2)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ LMNA P02545 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ TNKS O95271 3/20 0.40
▸ TNKS2 Q9H2K2 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ GRM5 P41594 1/20 0.39

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 0.89 ADORA2A (0.55) ADORA2AADORA1ALDH1A1MAPTMEN1
SCHEMBL22410892 0.84 ADORA2A (0.46) ADORA2AADORA1LMNAALDH1A1MAPT
SCHEMBL6848705 0.80 ADORA2A (0.49) ADORA2AADORA1ALDH1A1NPSR1KMT2A
SCHEMBL22410803 0.77 ADORA2A (0.48) ADORA2AADORA1TNKSTNKS2
SCHEMBL22410625 0.77 ADORA2A (0.48) ADORA2AADORA1ALDH1A1TNKSTNKS2
SCHEMBL22410722 0.77 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL22410959 0.77 SPR (0.50) ADORA2AADORA1
SCHEMBL22410632 0.75 ADORA2A (0.48) ADORA2AADORA1
SCHEMBL22410957 0.73 SPR (0.47) ADORA2AADORA1
SCHEMBL12593269 0.71 SMN1; SMN2 (0.68) LMNAL3MBTL1ALDH1A1NPSR1MAPK1

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.

Send feedback