SCHEMBL20042781

SCHEMBL20042781

O=C(O)c1ccc(Cl)c(C(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SRD5A2 P31213 2/20 0.47
ALOX15 P16050 1/20 0.43
TTR P02766 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS2 P35354 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 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
SCHEMBL29504835 1.00 TSHR (0.59) TSHRMAPTALDH1A1SRD5A2ALOX15
SCHEMBL20042871 0.85 TSHR (0.59) TSHRMAPTALDH1A1SRD5A2ALOX15
SCHEMBL23112279 0.83 S100A4 (0.40) TSHRMAPTALDH1A1KDM4ECA1
SCHEMBL12125525 0.81 TSHR (0.59) TSHRMAPTALDH1A1SRD5A2ALOX15
SCHEMBL30147535 0.80 LMNA (0.47) TSHRMAPTSRD5A2ALOX15TTR
SCHEMBL26263149 0.80 LMNA (0.47) TSHRMAPTSRD5A2ALOX15TTR
SCHEMBL22410800 0.79 ALDH1A1 (0.54) TSHRMAPTALDH1A1ALOX15TDP1
SCHEMBL23112549 0.79 GSK3B (0.50) KMO
SCHEMBL18527296 0.79 ATM (0.41) TSHRMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL14122795 0.78 ACE2 (0.49) TSHRMAPTSRD5A2TTRTDP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976617-B1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2025-04-23 EP disclosed
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN BIOTECH, INC. 2024-08-22 US disclosed
CN-117881661-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-04-12 CN disclosed
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
WO-2022253255-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 WO disclosed
US-20220348592-A1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-11-03 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-113906028-A Fused heterocyclic derivatives 爱尔兰詹森科学公司 2022-01-07 CN 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-2020243135-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed
WO-2020243135-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 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
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-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 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 (3 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 2570/4885MAPT 4036/4885ALDH1A1 1508/4885
US-20220348592-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 TSHR 3584/4885MAPT 2596/4885ALDH1A1 2000/4885
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 TSHR 3584/4885MAPT 2596/4885ALDH1A1 2000/4885

“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.