SCHEMBL22424596

SCHEMBL22424596

CCOC(=O)C1=C(N)CN(C(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
HPGD P15428 2/20 0.47
PKM P14618 2/20 0.44
KMT2A Q03164 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
P2RY12 Q9H244 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP3 P42574 1/20 0.41
TMPRSS2 O15393 1/20 0.41
PGR P06401 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL22410822 0.89 TSHR (0.57) TSHRHPGDPKMKMT2ASLC6A2
SCHEMBL22410781 0.82 TSHR (0.50) TSHRHPGDPKMKMT2ASLC6A2
SCHEMBL436117 0.81 MAPK1 (0.47) TSHRHPGDKMT2AMAPTMAPK1
SCHEMBL22410826 0.79 TSHR (0.54) TSHRHPGDPKMKMT2AMAPT
SCHEMBL30298454 0.79 TSHR (0.48) TSHRHPGDSLC6A2SLC6A4SLC6A3
SCHEMBL22410776 0.79 TSHR (0.48) TSHRHPGDSLC6A2SLC6A4SLC6A3
SCHEMBL22424589 0.75 ALDH1A1 (0.48) TSHRHPGDKMT2AMAPTMAPK1
SCHEMBL22718305 0.75 TSHR (0.49) TSHRHPGDPKMKMT2ASLC6A2
SCHEMBL22717936 0.75 TSHR (0.47) TSHRHPGDPKMKMT2AMAPT
SCHEMBL22718051 0.74 TSHR (0.46) TSHRHPGDPKMKMT2AMAPT

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 5 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 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
CN-113710667-A Fused cyclic pyrimidinone derivatives for the treatment of HBV infection or HBV induced diseases 爱尔兰詹森科学公司 2021-11-26 CN 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
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 TSHR 2570/4885HPGD 103/4885PKM 2137/4885

“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.