SCHEMBL16046501

SCHEMBL16046501

Cn1nc(-c2ccncc2)c2scc(-c3ccc(F)cc3)c2c1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.50
MAPK13 O15264 4/20 0.50
MAPK12 P53778 4/20 0.50
MAPK11 Q15759 4/20 0.50
CSNK1D P48730 1/20 0.50
CSNK1E P49674 1/20 0.50
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GRM1 Q13255 1/20 0.40
RAB9A P51151 1/20 0.39
SRC P12931 2/20 0.39
BRAF P15056 2/20 0.39
KDR P35968 2/20 0.39

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
SCHEMBL16044266 1.00 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16044197 0.92 GABRA1 (0.38) MAPK14MAPK13MAPK12MAPK11CSNK1D
Trifluoroacetic Acid SCHEMBL18759443 0.92 PDE10A (0.44) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16045415 0.89 KMT2A (0.46) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16045348 0.89 KMT2A (0.46) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16045913 0.88 SRC (0.42) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16047506 0.88 GRM1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16044000 0.88 GRM1 (0.43) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16044246 0.88 BRAF (0.39) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16045854 0.88 BRAF (0.39) MAPK14MAPK13MAPK12MAPK11CSNK1D

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 MAPK14 2805/4885MAPK13 3309/4885MAPK12 3868/4885

“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.