SCHEMBL15745980

SCHEMBL15745980

CC#Cc1ccc(-c2c(-c3ccncc3)cnn2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.47
MAPK3 P27361 1/20 0.47
MAPK1 P28482 1/20 0.47
PDE10A Q9Y233 16/20 0.46
PDE4B Q07343 6/20 0.46
PDE4A P27815 5/20 0.46
PDE3B Q13370 5/20 0.46
PDE3A Q14432 5/20 0.46
CYP11B2 P19099 2/20 0.44

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
SCHEMBL15733793 0.80 GRM5 (0.59) PDE10APDE4BPDE3BPDE3A
SCHEMBL30123501 0.80 GRM5 (0.59) PDE10APDE4BPDE3BPDE3A
SCHEMBL4724002 0.80 BRAF (0.53) BRAFMAPK3MAPK1PDE10APDE4B
SCHEMBL15022079 0.79 PDE10A (0.51) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL7106124 0.78 CYP1A1 (0.61) PDE10ACYP11B2
SCHEMBL15745978 0.78 CYP1A1 (0.44) CYP11B2
SCHEMBL15745979 0.74 PDE10A (0.66) BRAFMAPK3MAPK1PDE10A
SCHEMBL8119242 0.73 PRMT5 (0.48) BRAFMAPK3MAPK1PDE10APDE4B
SCHEMBL7690758 0.70
SCHEMBL10508644 0.69 HIF1A (0.53) MAPK1PDE10APDE4BPDE4APDE3B

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 3 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 disclosed
US-9790203-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2017-10-17 US 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 (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-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A BRAF 3177/4885MAPK3 2268/4885MAPK1 957/4885
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A BRAF 3150/4885MAPK3 2273/4885MAPK1 956/4885

“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.