SCHEMBL15745977

SCHEMBL15745977

CC#Cc1ccc(-c2nn(C)cc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MAPK13 O15264 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
BRAF P15056 10/20 0.38
MAPK3 P27361 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPK10 P53779 1/20 0.33

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
SCHEMBL15745979 0.80 PDE10A (0.66) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL14996674 0.77 MAPK13 (0.44) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL14451608 0.75 BRAF (0.50) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL3754852 0.74 KMT2A (0.45) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL28720418 0.72 MAPK10 (0.42) PDE10AMAPK13CSNK1DCSNK1EMAPK12
SCHEMBL12856394 0.72 TGFBR1 (0.54) PDE10AMAPK14
SCHEMBL25251598 0.71 RAB9A (0.40) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL15478697 0.71 BRAF (0.42) MAPK13CSNK1DCSNK1EMAPK12MAPK11
SCHEMBL18865666 0.71 HRH3 (0.43) CYP1A2MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL25297726 0.71 CSNK1D (0.44) MAPK13CSNK1DCSNK1EMAPK12MAPK11

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 PDE10A 17/4885CYP1A1 9/4885CYP1A2 8/4885
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A PDE10A 17/4885CYP1A1 8/4885CYP1A2 10/4885

“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.