SCHEMBL15033355

SCHEMBL15033355

Cc1nc(CCc2nc3c4ccccc4ccc3n2C)nc2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.44
TLR7 Q9NYK1 2/20 0.39
ATM Q13315 1/20 0.35
TOP2A P11388 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL15033356 0.92 PDE10A (0.44) PDE10ATLR7ATMNPC1TP53
SCHEMBL15033585 0.89 PDE10A (0.46) PDE10ATLR7NPC1RAB9A
SCHEMBL15033570 0.88 PDE10A (0.59) PDE10ATLR7
SCHEMBL15033354 0.82 PDE10A (0.52) PDE10ATLR7
SCHEMBL15033362 0.82 PDE10A (0.47) PDE10ATLR7ATMNPC1TP53
SCHEMBL15033352 0.81 PDE10A (0.44) PDE10ATLR7NPC1RAB9A
SCHEMBL15033342 0.81 PDE10A (0.44) PDE10ATLR7MAPTCASP1
SCHEMBL12068337 0.79 PDE10A (0.59) PDE10ATLR7
SCHEMBL7457267 0.78 PDE10A (0.63) PDE10ATLR7
SCHEMBL15033341 0.78 PDE10A (0.46) PDE10ATLR7MAPT

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 1695/4885ATM 1951/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN PDE10A 2086/4885TLR7 4107/4885ATM 3942/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN PDE10A 2086/4885TLR7 4107/4885ATM 3942/4885

“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.