SCHEMBL2899174

SCHEMBL2899174

OCCNc1cc(NCc2ccccn2)c2c(-c3ccc(F)cc3)csc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.47
NOD1 Q9Y239 2/20 0.47
MAPK1 P28482 1/20 0.47
KCNA5 P22460 3/20 0.42
MAPK14 Q16539 3/20 0.40
SCN9A Q15858 1/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3CA P42336 1/20 0.38
KCNH2 Q12809 2/20 0.37
NPC1 O15118 1/20 0.36
KMT2A Q03164 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
SCHEMBL2896971 0.92 TNF (0.55) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL2897597 0.86 PIK3CA (0.41) MAPK14ALDH1A1SMN1; SMN2LMNAPIK3CA
SCHEMBL2903661 0.84 TNF (0.50) TNFNOD1MAPK1KCNA5MAPK14
SCHEMBL2897784 0.83 TNF (0.46) TNFNOD1MAPK1KCNA5MAPK14
SCHEMBL2368804 0.82 TNF (0.55) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL2897593 0.81 TNF (0.57) TNFNOD1MAPK1KCNA5MAPK14
SCHEMBL2905001 0.78 TNF (0.57) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL2368683 0.77 TNF (0.56) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL2897019 0.76 TNF (0.59) TNFNOD1MAPK1KCNA5PIP4K2C
SCHEMBL3386735 0.75 TNF (0.59) TNFNOD1MAPK1KCNA5PIP4K2C

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 10 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
US-20060183768-A1 Compounds XENTION DISCOVERY LTD. (GB) 2006-08-17 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 (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.