SCHEMBL1602168

SCHEMBL1602168

c1ccc2c(c1)ncc1nncn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
TOP2A P11388 1/20 0.44
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
CREBBP Q92793 2/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
GMNN O75496 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL29821277 1.00 HSD17B10 (0.49) HSD17B10HPGDKDM4EALDH1A1GLA
SCHEMBL1538495 0.76 SMN1; SMN2 (0.42) HSD17B10HPGDKDM4ESMN1; SMN2TOP2A
SCHEMBL796768 0.76 NPM1 (0.43) HSD17B10HPGDALDH1A1SMN1; SMN2MAPK1
SCHEMBL29965863 0.76 KDM4E (0.55) HSD17B10HPGDKDM4EALDH1A1GLA
SCHEMBL1417158 0.76 KDM4E (0.55) HSD17B10HPGDKDM4EALDH1A1GLA
SCHEMBL30388793 0.75 HRH4 (0.44) HSD17B10KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL15471902 0.75 HRH4 (0.45) HSD17B10KDM4EALDH1A1TOP2AMAPK1
SCHEMBL3328288 0.72 LCK (0.45) MAPK1
SCHEMBL5362222 0.72 HCAR3 (0.49) HSD17B10HPGDALDH1A1GAATSHR
SCHEMBL21642536 0.71 SMN1; SMN2 (0.45) KDM4EALDH1A1GAASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981677-B2 Further substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-05-14 US claimed
EP-3823970-B1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-03 EP claimed
EP-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 EP claimed
CN-112771046-B Other substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 CN claimed
EP-3823971-B1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-07-27 EP claimed
EP-3823971-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-05-26 EP claimed
WO-2020016453-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 WO claimed
EP-1456210-B1 PYRAZOLYL-SUBSTITUTED TRIAZOLOQUINOXALINES JSW RES FORSCHUNGSLABOR GMBH (AT) 2006-02-22 EP claimed
US-20050107611-A1 Pyrazolyl-substituted triazoloquinoxalines JSW-RESEARCH FORSCHUNGSLABOR GMBH (AT) 2005-05-19 US claimed
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US claimed
EP-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP claimed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP claimed
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP claimed
EP-0845026-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL, Hans-Peter Dr. (DE) 1998-06-03 EP claimed
WO-1997048786-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL HANS PETER (DE) 1997-12-24 WO claimed
US-4008322-A RICE BLAST ELI LILLY AND COMPANY (US) 1977-02-15 US claimed
JP-6128262-A None JP disclosed
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 EP disclosed
US-4252954-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
US-4008322-A RICE BLAST ELI LILLY AND COMPANY (US) 1977-02-15 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-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist ADORA2A, ADORA1, ADORA2B HSD17B10 3368/4885HPGD 1304/4885KDM4E 4617/4885
US-11981677-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 HSD17B10 778/4885HPGD 199/4885KDM4E 4106/4885
US-20050107611-A1 Pyrazolyl-substituted triazoloquinoxalines P2RY1, P2RX5, P2RX1 HSD17B10 4453/4885HPGD 819/4885KDM4E 4302/4885

“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.