SCHEMBL16045895

SCHEMBL16045895

COc1ncc(-c2csc3c(-c4ccncc4)nn(C)c(=O)c23)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
SLC22A12 Q96S37 1/20 0.35
ALDH1A1 P00352 6/20 0.34
CYP1A2 P05177 6/20 0.34
HSD17B10 Q99714 5/20 0.34
CYP3A4 P08684 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CASP1 P29466 4/20 0.34
USP2 O75604 3/20 0.34
CASP7 P55210 2/20 0.34
GLA P06280 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP2C9 P11712 2/20 0.34
GAA P10253 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
GABRA1 P14867 5/20 0.34
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA3 P34903 5/20 0.34

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 0.87 GABRA1 (0.38) PIK3CAKMT2AGABRA1GABRG2GABRB3
SCHEMBL16044322 0.85 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16045693 0.85 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16044213 0.84 PDE4B (0.38) KMT2AGABRA1GABRG2GABRB3GABRA3
SCHEMBL16045669 0.83 CYP2A6 (0.38) CYP3A4GAACLK4GABRA1GABRG2
SCHEMBL16045967 0.82 TBXAS1 (0.34) KMT2AGAACLK4GABRA1GABRG2
SCHEMBL16046165 0.82 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL16044799 0.81 DHPS (0.45) PIK3CACYP3A4CYP2C9GAACYP19A1
SCHEMBL16045049 0.81 GRM1 (0.50) PIK3CAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL16045415 0.81 KMT2A (0.46) ALDH1A1MEN1KMT2AGAAGABRA1

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 8 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
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 PIK3CA 909/4885SLC22A12 2565/4885ALDH1A1 743/4885

“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.