SCHEMBL16045669

SCHEMBL16045669

Cn1nc(-c2ccncc2)c2scc(-c3ccc(F)nc3)c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.38
CYP2B6 P20813 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK14 Q16539 4/20 0.37
MAPK13 O15264 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPT P10636 1/20 0.34
TBXAS1 P24557 1/20 0.34
KDR P35968 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
JAK2 O60674 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
SCHEMBL16044266 0.86 MAPK14 (0.50) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL16046501 0.86 MAPK14 (0.50) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL16044197 0.86 GABRA1 (0.38) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL16044787 0.84 ADORA2B (0.38) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL16045854 0.84 BRAF (0.39) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL16044246 0.84 BRAF (0.39) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL16045967 0.84 TBXAS1 (0.34) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL16044213 0.83 PDE4B (0.38) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL16045895 0.83 PIK3CA (0.40) CYP3A4CYP2C19GABRA1GABRG2GABRB3
SCHEMBL16044799 0.83 DHPS (0.45) CYP2A6CYP2B6CYP3A4CYP2C19MAPT

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 CYP2A6 580/4885CYP2B6 510/4885CYP3A4 147/4885

“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.