SCHEMBL18384650

SCHEMBL18384650

COc1c2cnccc2c(OC)c2oc(C(=O)NCC(F)F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.38
▸ DGAT2 Q96PD7 4/20 0.37
▸ NAMPT P43490 3/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CSNK2A3 Q8NEV1 1/20 0.37
▸ PDE4A P27815 2/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL18384645 0.81 KDM4E (0.40) ROCK2CSNK2A2CSNK2BCSNK2A1PDE4A
SCHEMBL18384647 0.80 PDE4A (0.47) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL18384644 0.80 PDE4A (0.42) ROCK2DGAT2CSNK2A2CSNK2BCSNK2A1
SCHEMBL18384657 0.80 PDE4A (0.42) ROCK2DGAT2CSNK2A2CSNK2BCSNK2A1
SCHEMBL18384660 0.80 PDE4A (0.47) ROCK2PDE4APDE4BPDE4CPDE4D
SCHEMBL18384557 0.79 GRIN3B (0.40) DGAT2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL18384661 0.74 TSHR (0.44) MEN1KMT2AALDH1A1HPGDGLA
SCHEMBL18384648 0.74 TSHR (0.44) MEN1KMT2AALDH1A1HPGDGLA
SCHEMBL18384664 0.71 PDE4A (0.40) ROCK2DGAT2PDE4APDE4BPDE4C
SCHEMBL18384651 0.71 PDE4A (0.40) ROCK2DGAT2PDE4APDE4BPDE4C

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-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 ROCK2 1884/4885DGAT2 2698/4885NAMPT 1632/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 ROCK2 1884/4885DGAT2 2698/4885NAMPT 1632/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR ROCK2 1515/4885DGAT2 2345/4885NAMPT 1655/4885

“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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