SCHEMBL18384698

SCHEMBL18384698

COC(=O)c1cc2c(OC)c(N)c(N)c(OC)c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
POLB P06746 2/20 0.43
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
CSNK2A1 P68400 2/20 0.42
KDR P35968 1/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.40
ALDH1A1 P00352 3/20 0.40
OPRD1 P41143 1/20 0.38
LMNA P02545 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
ATM Q13315 2/20 0.38
NPC1 O15118 2/20 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
SCHEMBL30626980 1.00 KDM4E (0.43) KDM4EPOLBCSNK2A2CSNK2BCSNK2A1
SCHEMBL18384498 0.81 KDM4E (0.46) KDM4EPOLBCSNK2A2CSNK2BCSNK2A1
SCHEMBL23046913 0.81 CSNK2A2 (0.40) KDM4EPOLBCSNK2A2CSNK2BCSNK2A1
SCHEMBL18384502 0.81 KDM4E (0.46) KDM4EPOLBCSNK2A2CSNK2BCSNK2A1
SCHEMBL18384536 0.78 KDM4E (0.48) KDM4EPOLBCSNK2A2CSNK2BCSNK2A1
SCHEMBL18384704 0.78 KDR (0.43) KDM4EPOLBCSNK2A2CSNK2BCSNK2A1
SCHEMBL30626981 0.78 KDR (0.43) KDM4EPOLBCSNK2A2CSNK2BCSNK2A1
SCHEMBL30626987 0.78 CSNK2A2 (0.43) KDM4EPOLBCSNK2A2CSNK2BCSNK2A1
SCHEMBL9432296 0.77 CSNK2A2 (0.41) KDM4EPOLBCSNK2A2CSNK2BCSNK2A1
SCHEMBL2626937 0.77 CCNC (0.41) KDM4EPOLBCSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947879-A BBI608 derivative, preparation method thereof and application thereof in preparing medicines for treating STAT3 mediated diseases 沈阳药科大学 2023-10-27 CN disclosed
US-10934309-B2 Tricyclic quinone derivative SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-03-02 US disclosed
US-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. 2019-08-08 US disclosed
EP-3127907-A1 NEW TRICYCLIC QUINONE DERIVATIVE Boston Biomedical, Inc. (US) 2017-02-08 EP disclosed
EP-3127907-A1 NEW TRICYCLIC QUINONE DERIVATIVE Boston Biomedical, Inc. (US) 2017-02-08 EP disclosed
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 US disclosed
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 US 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-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 KDM4E 2727/4885POLB 2826/4885CSNK2A2 1039/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 KDM4E 2727/4885POLB 2826/4885CSNK2A2 1039/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR KDM4E 2785/4885POLB 3228/4885CSNK2A2 1362/4885

“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.