SCHEMBL2368543

SCHEMBL2368543

CCOC(=O)C(C(=O)OCC)c1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.56
NOD1 Q9Y239 2/20 0.56
MAPK1 P28482 1/20 0.56
PIP4K2C Q8TBX8 1/20 0.47
KCNH2 Q12809 7/20 0.46
ESR1 P03372 4/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNA5 P22460 7/20 0.42
JAK2 O60674 1/20 0.42
IGF1R P08069 1/20 0.42
PIM1 P11309 1/20 0.42
SRC P12931 1/20 0.42
CSNK2A2 P19784 1/20 0.42
JAK1 P23458 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL3386697 0.93 TNF (0.48) TNFNOD1MAPK1PIP4K2CKCNH2
SCHEMBL3415878 0.89 ESR1 (0.44) TNFNOD1MAPK1PIP4K2CKCNH2
SCHEMBL2368555 0.87 TNF (0.52) TNFNOD1MAPK1PIP4K2CKCNH2
SCHEMBL3384571 0.86 CLK4 (0.46) TNFNOD1MAPK1PIP4K2CALDH1A1
SCHEMBL3415627 0.84 ALDH1A1 (0.44) TNFNOD1MAPK1KCNH2ALDH1A1
SCHEMBL2368361 0.84 TNF (0.56) TNFNOD1MAPK1PIP4K2CKCNH2
SCHEMBL3381249 0.84 TNF (0.66) TNFNOD1MAPK1PIP4K2CKCNH2
SCHEMBL2903027 0.83 TNF (0.48) TNFNOD1MAPK1PIP4K2CKCNH2
SCHEMBL2368974 0.83 TNF (0.65) TNFNOD1MAPK1PIP4K2CKCNH2
SCHEMBL2369286 0.82 PRKCZ (0.37) TNFNOD1MAPK1ESR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 US disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 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 (1 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-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 TNF 2689/4885NOD1 2052/4885MAPK1 667/4885

“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.