SCHEMBL465732

SCHEMBL465732

Nc1ccc(CN2CCOCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.53
CXCR4 P61073 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 2/20 0.43
ACVRL1 P37023 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.41
AOC3 Q16853 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NCF1 P14598 1/20 0.41
GLA P06280 1/20 0.40

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
Hydrochloric Acid SCHEMBL2770716 0.98 HRH3 (0.52) HRH3CXCR4SMN1; SMN2HIF1AEPAS1
SCHEMBL17403600 0.94 HRH3 (0.55) HRH3CXCR4SMN1; SMN2HIF1AEPAS1
SCHEMBL3399672 0.91 HRH3 (0.47) HRH3CXCR4SMN1; SMN2HIF1AEPAS1
SCHEMBL530048 0.84 HRH3 (0.53) HRH3ALDH1A1KCNH2
SCHEMBL15972046 0.84 HRH3 (0.47) HRH3CXCR4SMN1; SMN2KDM4EMAPT
SCHEMBL1126227 0.80 LMNA (0.57) HRH3SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL13187501 0.80 HRH3 (0.53) HRH3CXCR4SMN1; SMN2HIF1AEPAS1
SCHEMBL13452765 0.80 HRH3 (0.53) HRH3CXCR4SMN1; SMN2HIF1AEPAS1
SCHEMBL110617 0.80 HRH3 (0.53) HRH3CXCR4SMN1; SMN2HIF1AEPAS1
SCHEMBL1126270 0.80 GAA (0.49) HRH3SMN1; SMN2KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601287-B1 2,6-DISUBSTITUTED-9-CYCLOPENTYL-9H-PURINES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS UNIV PALACKEHO (CZ) 2021-12-15 EP claimed
US-11028087-B2 2,6-disubstituted-9-cyclopentyl-9H-purines, use thereof as medicaments, and pharmaceutical compositions UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2021-06-08 US claimed
US-20200087306-A1 2,6-DISUBSTITUTED-9-CYCLOPENTYL-9H-PURINES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-03-19 US claimed
EP-3601287-A1 2,6-DISUBSTITUTED-9-CYCLOPENTYL-9H-PURINES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS Univerzita Palackého v Olomouci (CZ) 2020-02-05 EP claimed
WO-2018171819-A1 2,6-DISUBSTITUTED-9-CYCLOPENTYL-9H-PURINES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2018-09-27 WO claimed
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP claimed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US claimed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US claimed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO claimed
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-20 US disclosed
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-02-13 US disclosed
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-06 US disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-02-10 US disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2009149436-A1 SUBSTITUTED AMINOTHIAZOLE PRODRUGS OF COMPOUNDS WITH ANTI-HCV ACTIVITY ACHILLION PHARMACEUTICALS, INC. (US) 2009-12-10 WO disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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 (8 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-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK3, CLK2, CLK1 HRH3 488/4885CXCR4 967/4885SMN1; SMN2 3372/4885
US-20200087306-A1 2,6-DISUBSTITUTED-9-CYCLOPENTYL-9H-PURINES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS FLT3, CDK9, CDK6 HRH3 2608/4885CXCR4 446/4885SMN1; SMN2 4032/4885
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 HRH3 2345/4885CXCR4 1501/4885SMN1; SMN2 4476/4885
US-11028087-B2 2,6-disubstituted-9-cyclopentyl-9H-purines, use thereof as medicaments, and pharmaceutical compositions FLT3, CDK9, CDK6 HRH3 2608/4885CXCR4 446/4885SMN1; SMN2 4032/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK HRH3 1578/4885CXCR4 2226/4885SMN1; SMN2 3530/4885
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK2, CLK1, CLK3 HRH3 2345/4885CXCR4 1501/4885SMN1; SMN2 4476/4885
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 HRH3 2345/4885CXCR4 1501/4885SMN1; SMN2 4476/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 HRH3 2278/4885CXCR4 1023/4885SMN1; SMN2 2398/4885

“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.