SCHEMBL22410885

SCHEMBL22410885

CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc3c(c1)OCCO3)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.46
▸ TSHR P16473 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ PRLHR P49683 4/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CHRNA7 P36544 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MTHFD2 P13995 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL22410646 0.83 ADORA2A (0.52) HPGDTSHRRECQLSMN1; SMN2ALDH1A1
SCHEMBL22410611 0.79 HTT (0.47) HPGDTSHRALDH1A1MTHFD2
SCHEMBL22410883 0.74 MEN1 (0.41) TSHRSMN1; SMN2ALDH1A1NPC1MTHFD2
SCHEMBL22410887 0.73 P2RX7 (0.36) ALDH1A1PRLHRMTHFD2
SCHEMBL22410712 0.73 HRH4 (0.51) TSHRSMN1; SMN2NPC1POLB
SCHEMBL22410765 0.73 SPR (0.35) HPGDALDH1A1TP53MTHFD2
SCHEMBL22410651 0.72 ADORA2A (0.34) ALDH1A1MTHFD2
SCHEMBL22410719 0.71 P2RX7 (0.35) ALDH1A1MTHFD2
SCHEMBL22915936 0.71 HPGD (0.53) HPGDTSHRRECQLSMN1; SMN2ALDH1A1
SCHEMBL22410643 0.71 GRM5 (0.44) TSHRRECQLALDH1A1POLB

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 HPGD 103/4885TSHR 2570/4885RECQL 413/4885

“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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