SCHEMBL18384557

SCHEMBL18384557

COc1c2cnccc2c(OC)c2sc(C(=O)NCC(F)F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN3B O60391 10/20 0.40
▸ GRIN1 Q05586 10/20 0.40
▸ GRIN2C Q14957 10/20 0.40
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CSNK2A3 Q8NEV1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ DGAT2 Q96PD7 4/20 0.35
▸ MEN1 O00255 2/20 0.34

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
SCHEMBL18384551 0.81 KDM4E (0.43) CSNK2A2CSNK2BCSNK2A1KDM4ENPC1
SCHEMBL18384596 0.81 KDM4E (0.43) CSNK2A2CSNK2BCSNK2A1KDM4ENPC1
SCHEMBL18384623 0.80 GRIN3B (0.42) GRIN3BGRIN1GRIN2CKDM4ENPC1
SCHEMBL18384537 0.80 CCNC (0.39) CSNK2A1KDM4EALDH1A1HPGDHTT
SCHEMBL18384535 0.80 KDM4E (0.39) CSNK2A2CSNK2BCSNK2A1KDM4EALDH1A1
SCHEMBL18384591 0.80 KDM4E (0.39) CSNK2A2CSNK2BCSNK2A1KDM4EALDH1A1
SCHEMBL18384600 0.80 CCNC (0.39) CSNK2A1KDM4EALDH1A1HPGDHTT
SCHEMBL18384650 0.79 ROCK2 (0.38) CSNK2A2CSNK2BCSNK2A1CSNK2A3KDM4E
SCHEMBL18384584 0.79 MAOA (0.37) CSNK2A1KDM4EALDH1A1HPGDHTT
SCHEMBL18384580 0.79 ICAM1 (0.46) ICAM1SELECCNCCDK8

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 GRIN3B 2640/4885GRIN1 1041/4885GRIN2C 2001/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 GRIN3B 2640/4885GRIN1 1041/4885GRIN2C 2001/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR GRIN3B 2889/4885GRIN1 1286/4885GRIN2C 2384/4885

“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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