SCHEMBL15733468

SCHEMBL15733468

Cc1ccnc(C#Cc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.61
CSNK1D P48730 2/20 0.53
CSNK1E P49674 2/20 0.53
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
BRAF P15056 10/20 0.51
MAPK3 P27361 2/20 0.51
MAPK1 P28482 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
SCHEMBL30123178 1.00 PDE10A (0.61) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15043350 0.86 PDE10A (0.61) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15735061 0.84 PDE10A (0.64) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL30123648 0.84 PDE10A (0.64) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15733493 0.80 PDE10A (0.68) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15043339 0.80 PDE10A (0.78) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15733023 0.80 PDE10A (0.61) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL30123641 0.80 PDE10A (0.78) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15745979 0.79 PDE10A (0.66) PDE10ACSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15733219 0.79 CSNK1D (0.65) PDE10ACSNK1DCSNK1EMAPK13MAPK12

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 17 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
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
EP-2922842-A2 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Inc. (US) 2015-09-30 EP claimed
WO-2014079995-A2 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2014-05-30 WO 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-104995183-B Novel phosphodiesterase type 10A inhibitor compounds 艾伯维公司 2018-04-06 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
EP-2922842-A2 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Inc. (US) 2015-09-30 EP disclosed
WO-2014079995-A2 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2014-05-30 WO 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 17/4885CSNK1D 1340/4885CSNK1E 1575/4885
US-20230149385-A1 COMPOSITIONS AND USES THEREOF PDE2A, PDE3A, PDE3B PDE10A 5/4885CSNK1D 1175/4885CSNK1E 615/4885
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A PDE10A 17/4885CSNK1D 1326/4885CSNK1E 1586/4885

“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.