SCHEMBL22410646

SCHEMBL22410646

O=C(c1ccc2c(c1)OCCO2)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ HPGD P15428 7/20 0.51
▸ TSHR P16473 3/20 0.51
▸ RECQL P46063 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ MGLL Q99685 3/20 0.41
▸ PRLHR P49683 2/20 0.41

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
SCHEMBL22410885 0.83 HPGD (0.46) HPGDTSHRRECQLSMN1; SMN2ALDH1A1
SCHEMBL22410647 0.81 MAPK1 (0.52) ADORA2AADORA1HPGDNPC1MGLL
SCHEMBL22410700 0.80 MAPK1 (0.51) ADORA2AADORA1HPGDNPC1MGLL
SCHEMBL22410635 0.80 ADORA2A (0.57) ADORA2AADORA1HPGDTSHRALDH1A1
SCHEMBL22410955 0.77 ADORA2A (0.54) ADORA2AADORA1HPGDMGLL
SCHEMBL22410881 0.76 ADORA2A (0.55) ADORA2AADORA1HPGDTSHRALDH1A1
SCHEMBL6848676 0.76 HPGD (0.53) ADORA2AADORA1HPGDTSHRSMN1; SMN2
SCHEMBL22410636 0.75 ADORA2A (0.56) ADORA2AADORA1HPGDTSHRALDH1A1
SCHEMBL22410759 0.74 ADORA2A (0.55) ADORA2AADORA1HPGDALDH1A1
SCHEMBL22410661 0.74 ADORA2A (0.55) ADORA2AADORA1HPGDSMN1; SMN2ALDH1A1

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 ADORA2A 701/4885ADORA1 1762/4885HPGD 103/4885

“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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