SCHEMBL16047469

SCHEMBL16047469

COC(=O)c1csc2c(-c3ccncc3)nn(C)c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TP53 P04637 3/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
NR4A2 P43354 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL16045978 0.86 ALDH1A1 (0.41) ALDH1A1TP53LMNAHPGDSMN1; SMN2
SCHEMBL16045580 0.80 MKNK1 (0.41) ALDH1A1TP53LMNAHPGDSMN1; SMN2
SCHEMBL28058547 0.79 MAPT (0.37) ALDH1A1TP53LMNAHPGDSMN1; SMN2
SCHEMBL16047461 0.79 ALDH1A1 (0.48) ALDH1A1POLBPKN2MAPK1GAA
SCHEMBL16044197 0.78 GABRA1 (0.38) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL16047603 0.78 KDM4C (0.37) TP53LMNAHPGDGABRA1GABRG2
SCHEMBL16081993 0.77 KDM4C (0.36) ALDH1A1TP53LMNAHPGDSMN1; SMN2
SCHEMBL16045693 0.75 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16044322 0.75 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
Trifluoroacetic Acid SCHEMBL18759466 0.75 PRKCI (0.39) ALDH1A1HPGDSMN1; SMN2CDK5CDK5R1

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 5 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 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 ALDH1A1 743/4885TP53 4738/4885LMNA 1512/4885

“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.