SCHEMBL4780116

SCHEMBL4780116

c1cc(-c2cnn3c2-c2ccc(OCc4cn5ccsc5n4)cc2OCC3)ccn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.36
GRM5 P41594 2/20 0.36
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
PIK3CA P42336 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
SLC8A1 P32418 1/20 0.33

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
SCHEMBL4780055 0.80 PDE10A (0.50) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL4780878 0.79 MAOB (0.49) PDE10AGRM5PDE4APDE4BPDE3B
SCHEMBL4780912 0.76 PDE10A (0.47) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL4781570 0.75 PDE10A (0.36) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL4778874 0.75 TP53 (0.46) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL4781215 0.72 MAOA (0.39) ROCK2ROCK1
SCHEMBL4765581 0.70 PDE10A (0.61) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL4159440 0.69 PDE10A (0.50) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL14303843 0.68 ROCK2 (0.34) ROCK2ROCK1
SCHEMBL4154371 0.65 PDE10A (0.48) PDE10APDE4APDE4BPDE3BPDE3A

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
WO-2008001182-A1 TRICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-01-03 WO claimed
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
CN-115484938-A Composition and use thereof 博善人工智能剑桥有限公司 2022-12-16 CN disclosed
WO-2008001182-A1 TRICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-01-03 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-20230149385-A1 COMPOSITIONS AND USES THEREOF PDE2A, PDE3A, PDE3B PDE10A 5/4885GRM5 1400/4885PDE4A 6/4885

“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.