SCHEMBL18384582

SCHEMBL18384582

COc1c2cnccc2c(OC)c2sc(C#N)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.38
▸ CLK1 P49759 5/20 0.33
▸ CLK2 P49760 5/20 0.33
▸ DYRK1A Q13627 5/20 0.33
▸ CLK4 Q9HAZ1 5/20 0.33
▸ DYRK1B Q9Y463 4/20 0.33
▸ CLK3 P49761 3/20 0.33
▸ CDK5 Q00535 3/20 0.33
▸ CDK5R1 Q15078 3/20 0.33
▸ CHUK O15111 3/20 0.33
▸ NCOA3 Q9Y6Q9 2/20 0.32
▸ NR1D1 P20393 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32

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
SCHEMBL18384715 0.86 MAOA (0.38) MAOACHUKKDM4EALDH1A1ACHE
SCHEMBL21236926 0.85 MAOA (0.40) MAOACHUKACHE
SCHEMBL18384590 0.79 MAOA (0.41) MAOACHUKNCOA3HTTKDM4E
SCHEMBL18384711 0.76 CYP2A6 (0.42) MAOACHUKNCOA3HTTKDM4E
SCHEMBL18473250 0.76 MAOA (0.38) MAOACHUKNCOA3HTTKDM4E
SCHEMBL18384605 0.76 CYP2A6 (0.42) MAOACHUKNCOA3HTTKDM4E
SCHEMBL18384542 0.76 MAOA (0.38) MAOADYRK1ACHUKNCOA3HTT
SCHEMBL18384572 0.76 MAOA (0.38) MAOACHUKKDM4EALDH1A1ACHE
SCHEMBL18384610 0.76 MAOA (0.38) MAOADYRK1ACHUKNCOA3HTT
SCHEMBL18384535 0.75 KDM4E (0.39) MAOADYRK1ANCOA3HTTKDM4E

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 MAOA 599/4885CLK1 3723/4885CLK2 3287/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 MAOA 599/4885CLK1 3723/4885CLK2 3287/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR MAOA 540/4885CLK1 3573/4885CLK2 3319/4885

“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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