SCHEMBL4536330

SCHEMBL4536330

COC(=O)c1ccc(OC(F)F)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.48
NNMT P40261 1/20 0.46
GABRA5 P31644 6/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 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
SCHEMBL1091883 0.83 NNMT (0.45) KDM4EL3MBTL1LMNANNMTALDH1A1
SCHEMBL31670741 0.83 MAPT (0.49) L3MBTL1LMNARAB9ACA12CA1
SCHEMBL24774417 0.81 MAPT (0.57) L3MBTL1NNMTGABRA5ALDH1A1MAPT
SCHEMBL22924506 0.81 GRM5 (0.49) GABRA5
SCHEMBL28093725 0.81 MAPK1 (0.53) MAPK1KDM4EL3MBTL1LMNANNMT
SCHEMBL65277 0.81 NNMT (0.68) MAPK1KDM4EL3MBTL1LMNANNMT
SCHEMBL2431102 0.81 MAPK1 (0.46) MAPK1KDM4EL3MBTL1LMNANNMT
SCHEMBL21669621 0.80 NNMT (0.62) KDM4EL3MBTL1NNMTMAPT
SCHEMBL27812352 0.79 MAPT (0.47) KDM4EL3MBTL1NNMTRAB9ATDP1
SCHEMBL24774416 0.79 MLYCD (0.43) KDM4EL3MBTL1NNMTGABRA5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11952364-B2 TRK inhibitors useful as anticancer drugs TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2024-04-09 US disclosed
CN-112739691-B TRK inhibitors as anticancer agents 泰励生物科技(上海)有限公司 2023-05-23 CN disclosed
WO-2022253255-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 WO disclosed
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2022-12-08 US disclosed
CN-108463458-B Modulators of ROR-gamma 生命医药有限责任公司 2022-02-01 CN disclosed
EP-3848365-A1 TRK INHIBITOR AS ANTI-CANCER DRUG Tyligand Bioscience (Shanghai) Limited (CN) 2021-07-14 EP disclosed
US-11008340-B2 Modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2021-05-18 US disclosed
EP-3377482-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-05-12 EP disclosed
EP-3377482-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-05-12 EP disclosed
CN-112739691-A TRK inhibitors as anticancer agents 泰励生物科技(上海)有限公司 2021-04-30 CN disclosed
US-20190322687-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC (US) 2019-10-24 US disclosed
EP-3377482-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, Inc. (US) 2018-09-26 EP disclosed
CN-108463458-A MODULATORS OF ROR-GAMMA 生命医药公司 2018-08-28 CN disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 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 (6 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-11008340-B2 Modulators of ROR-gamma RORC, RORB, RORA MAPK1 1515/4885KDM4E 3166/4885L3MBTL1 4612/4885
US-20190322687-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA MAPK1 1515/4885KDM4E 3166/4885L3MBTL1 4612/4885
US-11952364-B2 TRK inhibitors useful as anticancer drugs NTRK1, NTRK3, MUSK MAPK1 304/4885KDM4E 2651/4885L3MBTL1 1715/4885
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS NTRK1, NTRK3, MUSK MAPK1 304/4885KDM4E 2651/4885L3MBTL1 1715/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R MAPK1 3955/4885KDM4E 2065/4885L3MBTL1 4737/4885
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 MAPK1 4056/4885KDM4E 3515/4885L3MBTL1 4523/4885

“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.