SCHEMBL4765580

SCHEMBL4765580

Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cc(=O)n4ccsc4n3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
POLB P06746 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
PDE4A P27815 7/20 0.56
PDE4B Q07343 7/20 0.56
MAPT P10636 1/20 0.56
LGALS3 P17931 1/20 0.55
PDE4D Q08499 1/20 0.55
PDE3B Q13370 6/20 0.55
PDE3A Q14432 6/20 0.55

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
SCHEMBL4724514 0.87 MAPT (0.64) PDE10APOLBSMN1; SMN2PDE4APDE4B
SCHEMBL4765581 0.84 PDE10A (0.61) PDE10APDE4APDE4BLGALS3PDE4D
SCHEMBL3270227 0.83 PDE10A (0.65) PDE10APDE4APDE4BLGALS3PDE4D
SCHEMBL4159440 0.74 PDE10A (0.50) PDE10APDE4APDE4BLGALS3PDE4D
SCHEMBL24951523 0.73 PDE10A (0.76) PDE10APDE4APDE4BLGALS3PDE4D
SCHEMBL4154371 0.73 PDE10A (0.48) PDE10APDE4APDE4BLGALS3PDE4D
Hydrochloric Acid SCHEMBL30202096 0.73 PDE10A (0.75) PDE10APDE4APDE4BLGALS3PDE4D
Ammonia Solution, Strong SCHEMBL29280452 0.73 PDE10A (0.75) PDE10APDE4APDE4BLGALS3PDE4D
SCHEMBL30123172 0.72 PDE10A (0.81) PDE10APDE4APDE4BLGALS3PDE4D
SCHEMBL3269654 0.72 PDE10A (0.81) PDE10APDE4APDE4BLGALS3PDE4D

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-1979343-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS Pfizer Products Inc. (US) 2008-10-15 EP claimed
WO-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 WO claimed
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 US 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-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 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 (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 5/4885NPC1 3911/4885RAB9A 1032/4885
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A PDE10A 2/4885NPC1 1991/4885RAB9A 334/4885

“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.