SCHEMBL6836170

SCHEMBL6836170

CC(C)(C)OC(=O)NC1CCN(c2ncnc3scc(-c4ccc(Br)cc4)c23)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
ADRB3 P13945 6/20 0.48
ADRB2 P07550 5/20 0.48
ADRB1 P08588 4/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6836231 0.92 LMNA (0.56) KMT2AMEN1ADRB3ADRB2ADRB1
SCHEMBL6836255 0.91 KMT2A (0.62) KMT2AMEN1ADRB3ADRB2ADRB1
SCHEMBL14969443 0.84 KMT2A (0.53) KMT2AMEN1ADRB3ADRB2ADRB1
SCHEMBL6832454 0.83 ADRB2 (0.52) KMT2AMEN1ADRB3ADRB2ADRB1
SCHEMBL27978782 0.80 LMNA (0.65) KMT2AMEN1ADRB3ADRB2ADRB1
SCHEMBL3339299 0.78 ADRB2 (0.49) ADRB3ADRB2ADRB1MAPT
SCHEMBL23599413 0.77 CKS1B (0.54) KMT2AMEN1ADRB3ADRB2ADRB1
SCHEMBL6838309 0.77 LMNA (0.56) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL4251960 0.77 NR2F2 (0.55) MEN1ADRB3ADRB2ADRB1MAPT
SCHEMBL6663592 0.76 ADRB2 (0.50) KMT2AADRB3ADRB2ADRB1HTT

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 KMT2A 1039/4885MEN1 1141/4885ADRB3 130/4885
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS KCNA3, KCNJ1, KCNJ11 KMT2A 1025/4885MEN1 1205/4885ADRB3 131/4885
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists TACR1, GRPR, BDKRB1 KMT2A 3337/4885MEN1 2034/4885ADRB3 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.