SCHEMBL4158631

SCHEMBL4158631

Cn1cc(-c2ccccc2)c(-c2ccc(OCc3cn4ccsc4n3)nc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.43
LGALS3 P17931 1/20 0.40
PDE4D Q08499 1/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE4A P27815 8/20 0.40
PDE4B Q07343 8/20 0.40
GRM5 P41594 2/20 0.39
PDE3B Q13370 7/20 0.39
PDE3A Q14432 5/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4154371 0.92 PDE10A (0.48) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL4162873 0.82 PDE10A (0.44) PDE10ALGALS3PDE4DHPGDNPC1
SCHEMBL4765581 0.79 PDE10A (0.61) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL4158252 0.77 PDE10A (0.66) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL4159440 0.74 PDE10A (0.50) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL23657513 0.73 RAB9A (0.57) HPGDNPC1RAB9AALDH1A1TSHR
SCHEMBL4147397 0.73 PDE10A (0.52) PDE10ALGALS3PDE4DHPGDNPC1
SCHEMBL4150501 0.71 PDE10A (0.77) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL4153844 0.67 PDE10A (0.59) PDE10ALGALS3PDE4DNPC1RAB9A
SCHEMBL4154289 0.65 PDE10A (0.65) PDE10ALGALS3PDE4DPDE4APDE4B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176829-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2009-07-09 US claimed
WO-2007129183-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-11-15 WO claimed
US-20090176829-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2009-07-09 US disclosed
WO-2007129183-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-11-15 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-20090176829-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE7A, PDE9A PDE10A 4/4885LGALS3 4543/4885PDE4D 17/4885

“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.