SCHEMBL15033342

SCHEMBL15033342

Cc1nc(CCc2nc3c4ccccc4ccc3n2C)nc(C)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.44
TLR7 Q9NYK1 2/20 0.39
TLR8 Q9NR97 1/20 0.38
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGER4 P35408 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HCRTR1 O43613 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL15033352 0.88 PDE10A (0.44) PDE10ATLR7TLR8
SCHEMBL15033585 0.86 PDE10A (0.46) PDE10ATLR7TLR8
SCHEMBL15033341 0.85 PDE10A (0.46) PDE10ATLR7TLR8MAPTL3MBTL1
SCHEMBL12066495 0.83 PDE10A (0.61) PDE10ATLR7
SCHEMBL15033346 0.82 PDE10A (0.41) PDE10ATLR7TLR8
SCHEMBL15033345 0.82 PDE10A (0.41) PDE10ATLR7TLR8
SCHEMBL15033354 0.82 PDE10A (0.52) PDE10ATLR7
SCHEMBL15033582 0.82 PDE10A (0.40) PDE10ATLR7TLR8MAPTKDM4E
SCHEMBL15033343 0.82 PDE10A (0.41) PDE10ATLR7TLR8L3MBTL1KDM4E
SCHEMBL15033356 0.81 PDE10A (0.44) PDE10ATLR7TLR8MAPTCASP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS SUNOVION PHARMACEUTICALS INC. 2018-02-08 US disclosed
US-9834564-B2 Substituted quinolines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2017-12-05 US disclosed
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2015-06-18 US disclosed
US-8969349-B2 Substituted quinoxalines and quinoxalinones as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2015-03-03 US disclosed
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2013-06-20 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-20180037590-A1 SUBSTITUTED QUINOLINES AS PDE-10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885TLR7 1695/4885TLR8 2698/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN PDE10A 2086/4885TLR7 4107/4885TLR8 3746/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN PDE10A 2086/4885TLR7 4107/4885TLR8 3746/4885

“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.