SCHEMBL16045978

SCHEMBL16045978

Cn1nc(-c2ccncc2)c2scc(C(=O)O)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CSF1R P07333 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK8 P49336 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKCQ Q04759 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
TP53 P04637 2/20 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
SCHEMBL16047469 0.86 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL18759485 0.84 ADORA1 (0.47) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL16045580 0.83 MKNK1 (0.41) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL16047461 0.81 ALDH1A1 (0.48) ALDH1A1GSK3AGSK3BCLK4CDC7
SCHEMBL16047603 0.81 KDM4C (0.37) HPGDCSF1RFGFR1FLT1KDR
SCHEMBL16044197 0.81 GABRA1 (0.38) KDM4ELMNAKDM4CNR4A2TBXAS1
SCHEMBL16081993 0.80 KDM4C (0.36) ALDH1A1HPGDSMN1; SMN2CSF1RFGFR1
Trifluoroacetic Acid SCHEMBL18759466 0.80 PRKCI (0.39) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
Trifluoroacetic Acid SCHEMBL18759446 0.79 CXCR2 (0.38) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL16048442 0.79 USP2 (0.44) ALDH1A1HSD17B10LMNA

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 disclosed
CN-105358561-A Novel inhibitor compounds of phosphodiesterase type 10a ABBVIE DEUTSCHLAND 2016-02-24 CN 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 743/4885HPGD 364/4885SMN1; SMN2 1019/4885

“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.