SCHEMBL3457142

SCHEMBL3457142

CC(=O)c1ccn2ncnc2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 2/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 2/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAP4K4 O95819 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL23030808 0.84 KDM4E (0.41) PDE10AALDH1A1KDM4EHTTHSD17B10
SCHEMBL2492473 0.72 ALDH1A1 (0.46) PDE10AALDH1A1KDM4EGAAMAPT
SCHEMBL5188673 0.72 PDE10A (0.45) PDE10AALDH1A1KDM4EGAACYP2C19
SCHEMBL31001804 0.70 NAMPT (0.42) ALDH1A1IRAK4MAP4K4
SCHEMBL362643 0.68 PDE10A (0.45) PDE10AALDH1A1KDM4EGAACYP2C19
SCHEMBL5634310 0.68 PDE10A (0.45) PDE10AALDH1A1KDM4EGAACYP2C19
SCHEMBL13934564 0.68 PDE10A (0.41) PDE10AALDH1A1KDM4EGAACYP2C19
SCHEMBL22755250 0.68 PDE10A (0.41) PDE10AALDH1A1KDM4EGAACYP2C19
SCHEMBL31001791 0.67 TYK2 (0.38) IRAK4
Hydrochloric Acid SCHEMBL31728514 0.67 PDE10A (0.40) PDE10AALDH1A1KDM4EGAACYP2C19

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-2258703-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands Abbott Laboratories (US) 2010-12-08 EP disclosed
US-7205316-B2 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
EP-1751130-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBVIE INC. 2005-12-08 US disclosed
WO-2005113536-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-12-01 WO disclosed
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-17 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 (2 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-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 PDE10A 3595/4885ALDH1A1 3121/4885KDM4E 2908/4885
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 PDE10A 3595/4885ALDH1A1 3121/4885KDM4E 2908/4885

“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.