SCHEMBL15735563

SCHEMBL15735563

Cn1cc(-c2ccncc2)c(-c2ccc(C#Cc3cn[nH]c3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.60
BRAF P15056 11/20 0.57
MAPK3 P27361 3/20 0.56
MAPK1 P28482 3/20 0.56
MAPK13 O15264 1/20 0.55
CSNK1D P48730 1/20 0.55
CSNK1E P49674 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 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
SCHEMBL15733493 0.82 PDE10A (0.68) PDE10ABRAFMAPK3MAPK1MAPK13
SCHEMBL15733380 0.81 PDE10A (0.64) PDE10ABRAFMAPK3MAPK1MAPK13
SCHEMBL15745979 0.81 PDE10A (0.66) PDE10ABRAFMAPK3MAPK1MAPK13
SCHEMBL15022077 0.79 PDE10A (0.63) PDE10ABRAFMAPK3MAPK1MAPK13
SCHEMBL15733376 0.79 PDE10A (0.60) PDE10ABRAFMAPK3MAPK1MAPK13
SCHEMBL15043350 0.77 PDE10A (0.61) PDE10ABRAFMAPK3MAPK1MAPK13
SCHEMBL15022073 0.77 MAPK13 (0.67) PDE10ABRAFMAPK3MAPK1MAPK13
SCHEMBL15022337 0.77 PDE10A (0.66) PDE10ABRAFMAPK13CSNK1DCSNK1E
SCHEMBL30123034 0.77 PDE10A (0.66) PDE10ABRAFMAPK13CSNK1DCSNK1E
SCHEMBL15734195 0.76 PDE10A (0.64) PDE10ABRAFMAPK3MAPK1MAPK13

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 12 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
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
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 17/4885BRAF 3177/4885MAPK3 2268/4885
US-20230149385-A1 COMPOSITIONS AND USES THEREOF PDE2A, PDE3A, PDE3B PDE10A 5/4885BRAF 3483/4885MAPK3 1845/4885
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A PDE10A 17/4885BRAF 3150/4885MAPK3 2273/4885

“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.