SCHEMBL7520389

SCHEMBL7520389

CN(C)S(=O)(=O)n1cc(-c2ccccc2)nc1CNc1cnc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.45
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
PCSK9 Q8NBP7 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
JAK2 O60674 1/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
FGFR1 P11362 2/20 0.35
FGFR2 P21802 2/20 0.35
FGFR4 P22455 2/20 0.35
FGFR3 P22607 2/20 0.35

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
SCHEMBL7449872 0.80 TSHR (0.42) PDE10ATSHRKDM4EALDH1A1NPC1
SCHEMBL7503514 0.76 TSHR (0.41) PDE10ATSHRKDM4EALDH1A1POLB
SCHEMBL7509246 0.74 TSHR (0.46) PDE10ATSHRKDM4EALDH1A1POLB
SCHEMBL7519440 0.74 TSHR (0.46) PDE10ATSHRKDM4EALDH1A1POLB
SCHEMBL7457565 0.67 ELANE (0.50) PDE10ATSHRKDM4E
SCHEMBL7454136 0.66 PDE10A (0.63) PDE10AKDM4EALDH1A1POLBGAA
SCHEMBL4156930 0.66 PDGFRB (0.64) PDE10AKDM4EALDH1A1POLBGAA
SCHEMBL7513849 0.66 ALDH1A1 (0.40) PDE10AKDM4EALDH1A1CYP2C9HPGD
SCHEMBL15033450 0.65 TSHR (0.47) TSHRKDM4EALDH1A1GAANPC1
SCHEMBL7513475 0.65 TSHR (0.47) TSHRKDM4EALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
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
EP-2576540-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2013-04-10 EP disclosed
WO-2011150156-A2 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-12-01 WO 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 (4 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 1/4885TSHR 2306/4885KDM4E 202/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN PDE10A 2086/4885TSHR 1653/4885KDM4E 969/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A PDE10A 6/4885TSHR 2874/4885KDM4E 1397/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN PDE10A 2086/4885TSHR 1653/4885KDM4E 969/4885

“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.