SCHEMBL2899755

SCHEMBL2899755

OCCN(CCO)c1cc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.53
NOD1 Q9Y239 2/20 0.53
MAPK1 P28482 1/20 0.53
PIP4K2C Q8TBX8 1/20 0.42
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 5/20 0.39
LMNA P02545 5/20 0.39
KCNA5 P22460 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL2897784 0.93 TNF (0.46) TNFNOD1MAPK1PIP4K2CALDH1A1
SCHEMBL2905001 0.84 TNF (0.57) TNFNOD1MAPK1PIP4K2CALDH1A1
SCHEMBL2896971 0.82 TNF (0.55) TNFNOD1MAPK1PIP4K2CALDH1A1
SCHEMBL2897019 0.81 TNF (0.59) TNFNOD1MAPK1PIP4K2CALDH1A1
SCHEMBL2368814 0.81 TNF (0.62) TNFNOD1MAPK1PIP4K2CALDH1A1
SCHEMBL2902460 0.80 TNF (0.55) TNFNOD1MAPK1PIP4K2CALDH1A1
SCHEMBL2900101 0.78 TNF (0.69) TNFNOD1MAPK1PIP4K2CALDH1A1
SCHEMBL2899174 0.75 TNF (0.47) TNFNOD1MAPK1PIP4K2CALDH1A1
SCHEMBL2905206 0.75 TNF (0.49) TNFNOD1MAPK1PIP4K2CALDH1A1
SCHEMBL3386430 0.74 TNF (0.53) TNFNOD1MAPK1PIP4K2CALDH1A1

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

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

“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.