SCHEMBL2905196

SCHEMBL2905196

CCC(C)OC(=O)C(C(=O)O)c1cc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
PIP4K2C Q8TBX8 1/20 0.40
MAOB P27338 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRNP P04156 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CSNK2A2 P19784 1/20 0.35

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
SCHEMBL2903027 0.87 TNF (0.48) MAPK1TNFNOD1PIP4K2CMAOB
SCHEMBL2368555 0.85 TNF (0.52) MAPK1TNFNOD1PIP4K2CALDH1A1
SCHEMBL3386708 0.80 TNF (0.46) MAPK1TNFNOD1PIP4K2CMAOB
SCHEMBL2902460 0.79 TNF (0.55) MAPK1TNFNOD1PIP4K2CMAOB
SCHEMBL2905206 0.77 TNF (0.49) MAPK1TNFNOD1PIP4K2CALDH1A1
SCHEMBL3384583 0.76 CLK4 (0.41) MAPK1TNFNOD1PIP4K2CALDH1A1
SCHEMBL2896971 0.76 TNF (0.55) MAPK1TNFNOD1PIP4K2CALDH1A1
SCHEMBL3415890 0.75 ESR1 (0.40) MAPK1TNFNOD1PIP4K2CALDH1A1
SCHEMBL2905001 0.73 TNF (0.57) MAPK1TNFNOD1PIP4K2CALDH1A1
SCHEMBL2897019 0.73 TNF (0.59) MAPK1TNFNOD1PIP4K2CMAOB

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-8193215-B2 Thieno[2 3-b]pyridines as potassium channel inhibitors XENTION LIMITED (GB) 2012-06-05 US disclosed
EP-1879899-B1 THIENOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-08-04 EP disclosed
US-20100041695-A1 Thieno[2,3-b]pyridines as Potassium Channel Inhibitors XENTION LIMITED (GB) 2010-02-18 US disclosed
US-7576212-B2 Thieno[2,3-B] pyridines as potassium channel inhibitors XENTION LIMITED (GB) 2009-08-18 US disclosed
EP-1879899-A1 THIENOPYRIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2008-01-23 EP disclosed
US-20060183768-A1 Compounds XENTION DISCOVERY LTD. (GB) 2006-08-17 US disclosed
WO-2006061642-A1 COMPOUNDS XENTION DISCOVERY LIMITED (GB) 2006-06-15 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-20100041695-A1 Thieno[2,3-b]pyridines as Potassium Channel Inhibitors SCN8A, SCN1B, SCN2B MAPK1 1630/4885TNF 4358/4885NOD1 626/4885
US-20060183768-A1 Compounds SCN7A, CBR3, SCN8A MAPK1 2620/4885TNF 3698/4885NOD1 605/4885

“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.