SCHEMBL16044407

SCHEMBL16044407

Cc1cc(-c2nn(C)c(=O)c3c(-c4ccncc4)csc23)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.40
GABRG2 P18507 5/20 0.40
GABRB3 P28472 5/20 0.40
GABRA3 P34903 5/20 0.40
GABRA2 P47869 5/20 0.40
GABRA5 P31644 4/20 0.40
PDE4D Q08499 1/20 0.36
PDE10A Q9Y233 1/20 0.36
HTT P42858 1/20 0.35
NFATC1 O95644 1/20 0.35
DYRK1A Q13627 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
GRM1 Q13255 4/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
KDR P35968 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PIK3CA P42336 1/20 0.33

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 SCHEMBL18759462 0.91 PDE10A (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16044787 0.88 ADORA2B (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16044197 0.88 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16045415 0.84 KMT2A (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16045348 0.84 KMT2A (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16046796 0.82 GRM1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16045426 0.82 FYN (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16045886 0.82 GRM1 (0.45) PDE4DHTTGRM1KDM4ELMNA
Trifluoroacetic Acid SCHEMBL18759481 0.81 PDE10A (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16044266 0.81 MAPK14 (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 6 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
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
EP-2970328-B1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-04-26 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

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.