SCHEMBL5334843

SCHEMBL5334843

Cc1nc(O)c2sccc2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.50
ADORA1 P30542 8/20 0.50
HRH3 Q9Y5N1 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
AXL P30530 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ADORA2B P29275 3/20 0.37
POLB P06746 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ELANE P08246 1/20 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
SCHEMBL61008 0.79 ADORA2A (0.49) ADORA2AADORA1HRH3RAB9ASMN1; SMN2
SCHEMBL29893499 0.79 AXL (0.39) ADORA2AADORA1RAB9ASMN1; SMN2NPC1
SCHEMBL55302 0.79 AXL (0.39) ADORA2AADORA1RAB9ASMN1; SMN2NPC1
SCHEMBL1367259 0.78 AXL (0.52) ADORA2AADORA1HRH3RAB9ASMN1; SMN2
SCHEMBL13236422 0.76 ADORA2A (0.53) ADORA2AADORA1RAB9ASMN1; SMN2NPC1
SCHEMBL8945519 0.76 AXL (0.37) ADORA2AADORA1RAB9ANPC1HTT
SCHEMBL24170311 0.76 ADORA2A (0.50) ADORA2AADORA1HRH3RAB9ASMN1; SMN2
SCHEMBL30277827 0.76 ADORA2A (0.50) ADORA2AADORA1HRH3RAB9ASMN1; SMN2
SCHEMBL19661007 0.76 ADORA2A (0.46) ADORA2AADORA1HRH3RAB9ASMN1; SMN2
SCHEMBL18701478 0.76 ADORA2A (0.56) ADORA2AADORA1HTTAXLMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 EP disclosed
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed
US-9808466-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III 2017-11-07 US disclosed
US-9808466-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III 2017-11-07 US disclosed
WO-2017120429-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmasciences, Inc. (US) 2017-07-13 WO disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2016-10-13 US disclosed
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2016-10-13 US disclosed
US-9284334-B2 Macrocyclic compounds as protein kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2016-03-15 US disclosed
EP-2964654-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2016-01-13 EP disclosed
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 US disclosed
WO-2007056214-A2 N-ALKYL-N-ARYL-THIENOPYRIMIDIN-R-AMINES AND USES THEREOF CYTOVIA, INC (US) 2007-05-18 WO disclosed
WO-2007056214-A2 N-ALKYL-N-ARYL-THIENOPYRIMIDIN-R-AMINES AND USES THEREOF CYTOVIA, INC (US) 2007-05-18 WO disclosed
US-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 US disclosed
US-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 US disclosed
US-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 US disclosed
EP-1192164-B1 THIENO- AND FUROPYRIMIDINE DERIVATIVES AS A2A-RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2005-08-17 EP disclosed
US-6787541-B1 MOVEMENT DISORDERS, PARKINSON'S DISEASE VERNALIS RESEARCH LIMITED (GB) 2004-09-07 US disclosed
EP-1192164-A1 THIENO- AND FUROPYRIMIDINE DERIVATIVES AS A2A-RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-04-03 EP disclosed
WO-2001002409-A1 THIENO- AND FUROPYRIMIDINE DERIVATIVES AS A2A-RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2001-01-11 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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP4, CASP3 ADORA2A 237/4885ADORA1 259/4885HRH3 254/4885
US-20160296528-A1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS PIM1, PIM3, PIM2 ADORA2A 4307/4885ADORA1 4195/4885HRH3 3191/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR ADORA2A 1159/4885ADORA1 1353/4885HRH3 1072/4885
US-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, API5 ADORA2A 249/4885ADORA1 241/4885HRH3 150/4885

“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.