SCHEMBL6836231

SCHEMBL6836231

Cc1ccc(-c2csc3ncnc(N4CCC(NC(=O)OC(C)(C)C)CC4)c23)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
KDM4E B2RXH2 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADRB2 P07550 4/20 0.49
ADRB3 P13945 4/20 0.49
ADRB1 P08588 3/20 0.49

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
SCHEMBL6836170 0.92 KMT2A (0.51) LMNAHTTALDH1A1MAPTNPSR1
SCHEMBL6836255 0.92 KMT2A (0.62) LMNAKMT2AMEN1ADRB2ADRB3
SCHEMBL27978782 0.88 LMNA (0.65) LMNAHTTALDH1A1MAPTNPSR1
SCHEMBL14969443 0.86 KMT2A (0.53) KMT2AMEN1ADRB2ADRB3ADRB1
SCHEMBL6832454 0.86 ADRB2 (0.52) MAPTKMT2AMEN1ADRB2ADRB3
SCHEMBL3339299 0.81 ADRB2 (0.49) MAPTADRB2ADRB3ADRB1
SCHEMBL1921231 0.78 LMNA (0.58) LMNAHTTMAPTKMT2A
SCHEMBL23599413 0.78 CKS1B (0.54) LMNAMAPTKMT2AMEN1ADRB2
SCHEMBL6836530 0.77 MEN1 (0.62) LMNAHTTALDH1A1MAPTNPSR1
SCHEMBL4251960 0.77 NR2F2 (0.55) HTTMAPTMEN1L3MBTL1ADRB2

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 7 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
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 LMNA 3153/4885HTT 2759/4885ALDH1A1 1630/4885
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS KCNA3, KCNJ1, KCNJ11 LMNA 3254/4885HTT 2778/4885ALDH1A1 1621/4885
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists TACR1, GRPR, BDKRB1 LMNA 3508/4885HTT 1276/4885ALDH1A1 2631/4885

“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.