SCHEMBL18384580

SCHEMBL18384580

COc1c2cnccc2c(OC)c2sc(C(N)=O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 13/20 0.46
▸ SELE P16581 13/20 0.46
▸ CDK8 P49336 8/20 0.46
▸ CCNC P24863 7/20 0.46
▸ CDK9 P50750 2/20 0.45
▸ MAP4K4 O95819 2/20 0.45
▸ PIM1 P11309 2/20 0.45
▸ PRKACA P17612 2/20 0.45
▸ CSNK1A1 P48729 2/20 0.45
▸ CLK2 P49760 2/20 0.45
▸ GSK3A P49840 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ RPS6KA3 P51812 2/20 0.45
▸ CDK5 Q00535 2/20 0.45
▸ MAP4K2 Q12851 2/20 0.45
▸ ROCK1 Q13464 2/20 0.45
▸ DYRK1A Q13627 2/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ AURKA O14965 1/20 0.45

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
SCHEMBL18384537 0.88 CCNC (0.39) ICAM1SELECDK8CCNCGSK3B
SCHEMBL18384591 0.88 KDM4E (0.39) ICAM1SELECDK8CCNCPIM1
SCHEMBL18384600 0.88 CCNC (0.39) ICAM1SELECDK8CCNCGSK3B
SCHEMBL18384535 0.88 KDM4E (0.39) ICAM1SELECDK8CCNCPIM1
SCHEMBL18384596 0.87 KDM4E (0.43) ICAM1SELECDK8CCNCGSK3A
SCHEMBL18384551 0.87 KDM4E (0.43) ICAM1SELECDK8CCNCGSK3A
SCHEMBL18384584 0.87 MAOA (0.37) ICAM1SELECDK8CCNCGSK3B
SCHEMBL18384554 0.85 ICAM1 (0.42) ICAM1SELECDK8CCNCACVR1
SCHEMBL18384545 0.83 CCNC (0.43) ICAM1SELECDK8CCNCGSK3A
SCHEMBL18384590 0.80 MAOA (0.41) CDK8PIM1MAP4K2AURKAAURKB

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-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
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 ICAM1 4380/4885SELE 3930/4885CDK8 3030/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 ICAM1 4380/4885SELE 3930/4885CDK8 3030/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR ICAM1 4405/4885SELE 3855/4885CDK8 3412/4885

“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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