SCHEMBL5709396

SCHEMBL5709396

O=C(O)CCc1cnc2ccccc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.67
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RHOA P61586 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
HDAC6 Q9UBN7 3/20 0.49
FFAR1 O14842 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.49
AKR1B1 P15121 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
CHRM1 P11229 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL9953568 0.89 PDE10A (0.61) PDE10AMEN1KMT2ARHOAALDH1A1
SCHEMBL25412037 0.82 PDE10A (0.60) PDE10AMEN1KMT2AALDH1A1HPGD
SCHEMBL12066225 0.81 PDE10A (1.00) PDE10AMEN1KMT2AMAPT
SCHEMBL9042289 0.81 PDE10A (0.59) PDE10AMEN1KMT2AALDH1A1HPGD
SCHEMBL9043569 0.79 CYP1A2 (0.61) PDE10AMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7317271 0.78 PDE10A (0.77) PDE10AMEN1KMT2AALDH1A1HPGD
SCHEMBL7317281 0.78 PDE10A (0.77) PDE10AMEN1KMT2AALDH1A1HPGD
SCHEMBL9233026 0.77 KDM4E (0.50) PDE10AMEN1KMT2ARHOAALDH1A1
SCHEMBL547194 0.77 FFAR1 (0.63) KDM4EFFAR1AKR1B1CYP1A2CHRM1
SCHEMBL28237594 0.77 PDE10A (0.81) PDE10AMEN1KMT2AALDH1A1HPGD

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1041928-C Imidazoloquinoxalinone derivatives as eaa antagonists BASF AG (DE) 1999-02-03 CN claimed
CN-1120336-A Imidazoloquinoxalinone derivatives as eaa antagonists BASF AG (DE) 1996-04-10 CN claimed
EP-3318561-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-12-22 EP disclosed
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
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-2576540-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-09-04 EP disclosed
CN-109562183-A Liquid preparation for contact lens containing hydrolysis derivatives of hyaluronic acids and cationic system fungicide 日本欧得士株式会社 2019-04-02 CN disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
EP-3318561-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2018-05-09 EP disclosed
US-5908954-A CHEMICAL INTERMEDIATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-01 US disclosed
EP-0901468-A1 PREPARATION OF LACTAMS FROM ALIPHATIC $g(a),$g(v)-DINITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-17 EP disclosed
CN-1041928-C Imidazoloquinoxalinone derivatives as eaa antagonists BASF AG (DE) 1999-02-03 CN disclosed
US-5858736-A CONTACTING DINITRILE IN AQUEOUS MIXTURE WITH ENZYME CATALYST HAVING ALIPHATIC NITRILASE ACTIVITY OR COMBINATION OF NITRILE HYDRATASE AND AMIDASE ACTIVITY, CONTACTING PRODUCT WITH HYDROGEN AND HYDROGENATION CATALYST TO PRODUCE LACTAM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-12 US disclosed
US-5814508-A TREATING A WHOLE CELL CATALYST TO SELECT FOR A REGIOSELECTIVE NITRILASE ACTIVITY OR A NITRILE HYDRATASE ACTIVITY; CATALYTIC CONVERSION OF ALPHA-OMEGA DINITRILES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-29 US disclosed
WO-1997044318-A1 PREPARATION OF LACTAMS FROM ALIPHATIC α,φ-DINITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-27 WO disclosed
CN-1120336-A Imidazoloquinoxalinone derivatives as eaa antagonists BASF AG (DE) 1996-04-10 CN disclosed
EP-0691970-A1 IMIDAZOLOQUINOXALINONE DERIVATIVES AS EAA ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
WO-1994022865-A1 IMIDAZOLOQUINOXALINONE DERIVATIVES AS EAA ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 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 (1 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-10562916-B2 Substituted quinoxalines as PDE-10 inhibitors PDE4A, PDE2A, PDE9A PDE10A 6/4885MEN1 2701/4885KMT2A 1967/4885

“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.