SCHEMBL4433890

SCHEMBL4433890

Cc1csc2ncnc(N3CCC(N)CC3)c12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.51
ADRB1 P08588 3/20 0.51
ADRB3 P13945 3/20 0.51
AKT1 P31749 2/20 0.49
AKT2 P31751 3/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL3345764 0.83 RAB9A (0.51) ADRB2ADRB1ADRB3AKT2LMNA
SCHEMBL16293426 0.83 ADRB2 (0.51) ADRB2ADRB1ADRB3LMNAHPGD
SCHEMBL6836530 0.81 MEN1 (0.62) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL27978807 0.81 ADRB2 (0.49) ADRB2ADRB1ADRB3MAPK1MAPT
SCHEMBL14938246 0.80 DRD2 (0.54) ADRB2ADRB1ADRB3LMNASMN1; SMN2
SCHEMBL13597059 0.80 ADRB2 (0.48) ADRB2ADRB1ADRB3MAPK1MAPT
SCHEMBL27978531 0.80 ADRB2 (0.58) ADRB2ADRB1ADRB3AKT1LMNA
SCHEMBL3341397 0.79 MAPT (0.54) ADRB2ADRB1ADRB3MAPK1MAPT
SCHEMBL14964955 0.78 POLB (0.49) ADRB2ADRB1ADRB3POLBKMT2A
SCHEMBL4432115 0.78 LMNA (0.72) LMNAHPGDSMN1; SMN2POLBMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2014-12-18 US claimed
CN-104011054-A Thieno- and furo-pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LTD 2014-08-27 CN claimed
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2016-06-02 US disclosed
US-9290511-B2 Thieno-pyrimidines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2016-03-22 US disclosed
US-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2014-12-18 US disclosed
CN-104011054-A Thieno- and furo-pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LTD 2014-08-27 CN disclosed
US-8207174-B2 Beta-3 adrenergic receptor agonists; urinary tract infections, incontinence, gastrointestinal disorders, dysmenorrhea, obesity; tocolytic, anxiolytic, antidiabetic agents; antidepressants; 4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol 4SC AG (DE) 2012-06-26 US disclosed
EP-2118086-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2009-11-18 EP disclosed
US-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS SCHWARZ PHARMA AG (DE) 2008-10-09 US disclosed
WO-2008090140-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2008-07-31 WO disclosed
EP-1947103-A1 Aryloxypropanolamines, methods of preparation thereof and use of aryloxypropanolamines as medicaments 4SC AG (DE) 2008-07-23 EP disclosed
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists PREDIX PHARMACEUTICALS HOLDINGS, INC. 2004-07-15 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 (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-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS ADRB3, ADRB1, ADRB2 ADRB2 3/4885ADRB1 2/4885ADRB3 1/4885
US-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors KCNA3, KCNJ1, KCNJ11 ADRB2 374/4885ADRB1 248/4885ADRB3 130/4885
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS KCNA3, KCNJ1, KCNJ11 ADRB2 379/4885ADRB1 250/4885ADRB3 131/4885
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists TACR1, GRPR, BDKRB1 ADRB2 192/4885ADRB1 136/4885ADRB3 324/4885

“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.