SCHEMBL7553385

SCHEMBL7553385

c1ccc2c(c1)ccn1cc(CCc3ccc4ncccc4n3)nc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.64
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
BLM P54132 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12068221 0.90 PDE10A (0.74) PDE10ACYP3A4MAPTKDM4E
SCHEMBL7514620 0.84 PDE10A (0.80) PDE10ACYP3A4ALDH1A1MAPTRAB9A
SCHEMBL7513700 0.84 PDE10A (0.57) PDE10AALDH1A1MAPTRAB9ABLM
SCHEMBL15023646 0.83 PDE10A (0.64) PDE10ACYP3A4MAPTMEN1KMT2A
SCHEMBL12067666 0.81 PDE10A (0.80) PDE10ACYP3A4
SCHEMBL15033438 0.79 PDE10A (0.65) PDE10ACYP3A4
SCHEMBL15033565 0.78 PDE10A (1.00) PDE10ACYP3A4MAPTKDM4ELMNA
SCHEMBL7505453 0.77 PDE10A (0.61) PDE10ACYP3A4ALDH1A1MAPTRAB9A
SCHEMBL7511875 0.73 PDE10A (0.72) PDE10AALDH1A1MAPTRAB9ABLM
SCHEMBL12068902 0.73 PDE10A (0.46) PDE10A

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 16 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-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-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-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-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
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 1/4885CYP3A4 530/4885ALDH1A1 559/4885
US-20130158003-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN PDE10A 2086/4885CYP3A4 191/4885ALDH1A1 560/4885
US-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A PDE10A 6/4885CYP3A4 1077/4885ALDH1A1 1140/4885
US-20150166571-A1 Heteroaryl Compounds and Methods of Use Thereof COMT, GPR119, NLN PDE10A 2086/4885CYP3A4 191/4885ALDH1A1 560/4885

“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.