SCHEMBL2897019

SCHEMBL2897019

Clc1cc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.59
NOD1 Q9Y239 2/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 3/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
KCNA5 P22460 5/20 0.47
JAK2 O60674 1/20 0.47
IGF1R P08069 1/20 0.47
PIM1 P11309 1/20 0.47
SRC P12931 1/20 0.47
CSNK2A2 P19784 1/20 0.47
JAK1 P23458 1/20 0.47
CCNE1 P24864 1/20 0.47

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
SCHEMBL2903661 0.92 TNF (0.50) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2905001 0.85 TNF (0.57) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2898734 0.83 TNF (0.60) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2902460 0.83 TNF (0.55) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2896971 0.83 TNF (0.55) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2900101 0.82 TNF (0.69) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2899755 0.81 TNF (0.53) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2368495 0.81 ESR1 (0.73) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2368912 0.79 TNF (0.67) TNFNOD1MAPK1SMN1; SMN2LMNA
SCHEMBL2903707 0.78 KDM4E (0.44) TNFNOD1MAPK1SMN1; SMN2NPC1

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.