SCHEMBL6832454

SCHEMBL6832454

Cc1csc2ncnc(N3CCC(NC(=O)OC(C)(C)C)CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.52
ADRB1 P08588 3/20 0.52
ADRB3 P13945 3/20 0.52
MAPK1 P28482 2/20 0.49
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
AKT1 P31749 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
BTK Q06187 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL3339299 0.94 ADRB2 (0.49) ADRB2ADRB1ADRB3MAPK1CNR1
SCHEMBL27978531 0.86 ADRB2 (0.58) ADRB2ADRB1ADRB3MAPK1MAPT
SCHEMBL6836231 0.86 LMNA (0.56) ADRB2ADRB1ADRB3MAPTKMT2A
SCHEMBL6836255 0.85 KMT2A (0.62) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL23598901 0.84 MAPT (0.59) MAPK1CNR1CNR2CKS1BSKP1
SCHEMBL1921231 0.84 LMNA (0.58) MAPTKMT2A
SCHEMBL30033312 0.84 MAPT (0.59) MAPK1CNR1CNR2CKS1BSKP1
SCHEMBL6836170 0.83 KMT2A (0.51) ADRB2ADRB1ADRB3MAPTKMT2A
SCHEMBL4251960 0.80 NR2F2 (0.55) ADRB2ADRB1ADRB3CNR1CNR2
SCHEMBL9967211 0.80 AKT1 (0.64) AKT1BTKMAP3K6MAP3K5

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 9 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
EP-2780343-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP claimed
WO-2013072694-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 WO 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
EP-2780343-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
WO-2013072694-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 WO 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 (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-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.