SCHEMBL16045693

SCHEMBL16045693

COc1ccc(-c2nn(C)c(=O)c3c(-c4ccncc4)csc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.47
GABRG2 P18507 10/20 0.47
GABRB3 P28472 10/20 0.47
GABRA3 P34903 10/20 0.47
GABRA2 P47869 10/20 0.47
GABRA5 P31644 5/20 0.47
COMT P21964 1/20 0.46
GRM1 Q13255 2/20 0.45
KCNH2 Q12809 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL16044322 1.00 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
Trifluoroacetic Acid SCHEMBL16045030 0.91 COMT (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16044197 0.90 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16046165 0.90 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16046167 0.88 BTK (0.53) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16045415 0.87 KMT2A (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16045348 0.87 KMT2A (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16046950 0.87 MAPK14 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16047465 0.87 MAPT (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16045049 0.87 GRM1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2

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 GABRA1 2834/4885GABRG2 3714/4885GABRB3 2396/4885

“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.