SCHEMBL14964889

SCHEMBL14964889

c1cc2cnc(CCN3CCCC3)nc2s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP3A4 P08684 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LTA4H P09960 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36

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
SCHEMBL3233213 0.87 GRM4 (0.39) SIGMAR1
SCHEMBL20631751 0.74 HRH1 (0.30)
SCHEMBL7333314 0.72 SIGMAR1 (0.47) HRH3CYP1A2CYP2D6CYP3A4SLC6A3
SCHEMBL5439409 0.71 CYP2A6 (0.35)
SCHEMBL12343963 0.71 ADORA2A (0.37)
SCHEMBL19838265 0.67
SCHEMBL1604226 0.66 KDM1A (0.36) L3MBTL1
SCHEMBL13955300 0.66 HRH3 (0.44) HRH3L3MBTL1TDP1CYP1A2CYP2D6
SCHEMBL655306 0.65 PIK3CA (0.40) HRH3
SCHEMBL9933774 0.65 HTT (0.39) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HRH3 199/4885L3MBTL1 2713/4885TDP1 2192/4885
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS KCNA3, KCNJ1, KCNJ11 HRH3 200/4885L3MBTL1 2779/4885TDP1 2165/4885

“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.