SCHEMBL16045967

SCHEMBL16045967

Cn1nc(-c2ccncc2)c2scc(-c3ccnnc3)c2c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.34
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA3 P34903 3/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
GABRA5 P31644 2/20 0.32
GABRA2 P47869 2/20 0.32
DHPS P49366 1/20 0.32
MAPK14 Q16539 2/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
BRAF P15056 2/20 0.32
KDR P35968 2/20 0.32
CSF1R P07333 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 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
SCHEMBL16044197 0.90 GABRA1 (0.38) TBXAS1GABRA1GABRG2GABRB3GABRA3
SCHEMBL16044213 0.88 PDE4B (0.38) TBXAS1GABRA1GABRG2GABRB3GABRA3
SCHEMBL16044799 0.87 DHPS (0.45) TBXAS1KDM4EDHPSHPGDGAA
SCHEMBL16045854 0.85 BRAF (0.39) TBXAS1GABRA1GABRG2GABRB3GABRA3
SCHEMBL16044246 0.85 BRAF (0.39) TBXAS1GABRA1GABRG2GABRB3GABRA3
SCHEMBL16045348 0.84 KMT2A (0.46) GABRA1GABRG2GABRB3GABRA3KDM4E
SCHEMBL16045415 0.84 KMT2A (0.46) GABRA1GABRG2GABRB3GABRA3KDM4E
SCHEMBL16045669 0.84 CYP2A6 (0.38) TBXAS1GABRA1GABRG2GABRB3GABRA3
SCHEMBL16044782 0.83 KDR (0.40) MAPK1KDRCSF1RFGFR1FLT1
SCHEMBL16046501 0.83 MAPK14 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA5

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 10 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
US-20140275069-A1 Novel inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US claimed
WO-2014140086-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO claimed
EP-2970328-B1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-04-26 EP 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
US-20140275069-A1 Novel inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 US disclosed
WO-2014140086-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 WO 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 TBXAS1 219/4885GABRA1 2834/4885GABRG2 3714/4885

“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.