SCHEMBL4766725

SCHEMBL4766725

CCn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4n3C)cc2)n1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.61
LGALS3 P17931 1/20 0.54
PDE4D Q08499 1/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
PDE4A P27815 3/20 0.52
PDE4B Q07343 3/20 0.52
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51

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
SCHEMBL30123203 1.00 PDE10A (0.61) PDE10ALGALS3PDE4DNPC1RAB9A
SCHEMBL30123130 0.89 PDE10A (0.76) PDE10ALGALS3PDE4DNPC1RAB9A
SCHEMBL4724444 0.89 PDE10A (0.76) PDE10ALGALS3PDE4DNPC1RAB9A
SCHEMBL30123171 0.89 PDE10A (0.68) PDE10ALGALS3PDE4DNPC1RAB9A
SCHEMBL5522507 0.89 PDE10A (0.68) PDE10ALGALS3PDE4DNPC1RAB9A
SCHEMBL14451620 0.88 PDE10A (0.57) PDE10ALGALS3PDE4DNPC1RAB9A
SCHEMBL30123124 0.88 PDE10A (0.57) PDE10ALGALS3PDE4DNPC1RAB9A
SCHEMBL4767251 0.88 PDE10A (0.57) PDE10ALGALS3PDE4DNPC1RAB9A
SCHEMBL30122891 0.82 RAB9A (0.58) PDE10ALGALS3PDE4DNPC1RAB9A
SCHEMBL4766967 0.82 RAB9A (0.58) PDE10ALGALS3PDE4DNPC1RAB9A

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-4103161-B1 COMPOSITIONS AND USES THEREOF BENEVOLENTAI CAMBRIDGE LTD (GB) 2023-12-20 EP disclosed
US-20230149385-A1 COMPOSITIONS AND USES THEREOF Benevolentai Cambridge Limited (GB) 2023-05-18 US disclosed
EP-4103161-A1 COMPOSITIONS AND USES THEREOF BenevolentAI Cambridge Limited (GB) 2022-12-21 EP disclosed
EP-1979343-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS Pfizer Products Inc. (US) 2008-10-15 EP disclosed
WO-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 WO disclosed
WO-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 WO disclosed
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 US disclosed
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 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-20230149385-A1 COMPOSITIONS AND USES THEREOF PDE2A, PDE3A, PDE3B PDE10A 5/4885LGALS3 315/4885PDE4D 13/4885
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A PDE10A 2/4885LGALS3 4690/4885PDE4D 16/4885

“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.