SCHEMBL15733770

SCHEMBL15733770

Cn1cc(-c2ccncc2)c(-c2ccc(C#Cc3ccc4ncccc4n3)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.64
LGALS3 P17931 1/20 0.50
PDE4D Q08499 1/20 0.50
MAPK13 O15264 1/20 0.49
CSNK1D P48730 1/20 0.49
CSNK1E P49674 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE3B Q13370 2/20 0.48
PDE3A Q14432 1/20 0.48

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
SCHEMBL15733340 0.88 PDE10A (0.65) PDE10ALGALS3PDE4DMAPK13CSNK1D
SCHEMBL30123205 0.88 PDE10A (0.65) PDE10ALGALS3PDE4DMAPK13CSNK1D
SCHEMBL15022107 0.87 PDE10A (0.62) PDE10ALGALS3PDE4DMAPK13CSNK1D
SCHEMBL15022971 0.87 PDE10A (0.62) PDE10ALGALS3PDE4DMAPK13CSNK1D
SCHEMBL15735061 0.82 PDE10A (0.64) PDE10ALGALS3PDE4DMAPK13CSNK1D
SCHEMBL30123648 0.82 PDE10A (0.64) PDE10ALGALS3PDE4DMAPK13CSNK1D
SCHEMBL30123641 0.81 PDE10A (0.78) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL15043339 0.81 PDE10A (0.78) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL15733329 0.80 PDE10A (0.55) PDE10ALGALS3PDE4DPDE4APDE4B
SCHEMBL30123645 0.80 PDE10A (0.55) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-02-01 US claimed
US-9790203-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2017-10-17 US claimed
EP-2922842-B1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC (US) 2017-06-14 EP claimed
CN-104995183-A Novel phosphodiesterase type 10A inhibitor compounds ABBVIE INC 2015-10-21 CN claimed
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-29 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
US-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-02-01 US disclosed
US-9790203-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2017-10-17 US disclosed
EP-2922842-B1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC (US) 2017-06-14 EP disclosed
CN-104995183-A Novel phosphodiesterase type 10A inhibitor compounds ABBVIE INC 2015-10-21 CN disclosed
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-29 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 (3 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-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A PDE10A 17/4885LGALS3 4867/4885PDE4D 97/4885
US-20230149385-A1 COMPOSITIONS AND USES THEREOF PDE2A, PDE3A, PDE3B PDE10A 5/4885LGALS3 315/4885PDE4D 13/4885
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A PDE10A 17/4885LGALS3 4866/4885PDE4D 96/4885

“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.