SCHEMBL16046591

SCHEMBL16046591

Cn1nc(-c2cccc(OC(F)(F)F)c2)c2scc(-c3ccncc3)c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.43
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
CLK2 P49760 1/20 0.42
HASPIN Q8TF76 1/20 0.42
MAPK14 Q16539 2/20 0.40
KIT P10721 2/20 0.39
TRPC5 Q9UL62 4/20 0.38
TRPA1 O75762 1/20 0.38
BRAF P15056 1/20 0.37
KDM5A P29375 1/20 0.37
GRM1 Q13255 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL18759454 0.95 DYRK1A (0.42) DYRK1ACTSDBACE1BACE2CLK2
SCHEMBL16047465 0.88 MAPT (0.43) MAPK14
SCHEMBL16046950 0.88 MAPK14 (0.49) MAPK14BRAFGRM1
SCHEMBL18759449 0.87 BRAF (0.37) DYRK1AMAPK14TRPA1BRAFGRM1
SCHEMBL16045665 0.85 EPHX2 (0.42) MAPK14KITBRAF
SCHEMBL16045049 0.84 GRM1 (0.50) MAPK14BRAFGRM1
SCHEMBL16046796 0.83 GRM1 (0.44) CTSDBACE1BACE2MAPK14GRM1
Trifluoroacetic Acid SCHEMBL18759408 0.83 MAPT (0.43) KDM5A
Trifluoroacetic Acid SCHEMBL18759424 0.82 GRM1 (0.44) BACE1MAPK14BRAFGRM1
SCHEMBL16045426 0.81 FYN (0.38) MAPK14BRAFGRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970328-B1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-04-26 EP claimed
EP-2970328-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP claimed
US-9200005-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2015-12-01 US claimed
WO-2014140086-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO claimed
US-20140275069-A1 Novel inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US claimed
EP-2970328-B1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-04-26 EP disclosed
CN-105358561-A Novel inhibitor compounds of phosphodiesterase type 10a ABBVIE DEUTSCHLAND 2016-02-24 CN disclosed
EP-2970328-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 EP disclosed
US-9200005-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2015-12-01 US disclosed
WO-2014140086-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO disclosed
US-20140275069-A1 Novel inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 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 (1 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-20140275069-A1 Novel inhibitor compounds of phosphodiesterase type 10A PDE5A, PDE3A, PDE3B DYRK1A 1237/4885CTSD 1596/4885BACE1 100/4885

“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.