SCHEMBL2897786

SCHEMBL2897786

Cc1cccc(CNc2ccnc3scc(-c4ccc(F)cc4)c23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
RAB9A P51151 2/20 0.39
FGFR1 P11362 1/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL2897593 0.85 TNF (0.57) MAPK1TNFNOD1LMNAALDH1A1
SCHEMBL2905228 0.84 LMNA (0.39) MAPK1TNFNOD1LMNAALDH1A1
SCHEMBL2897597 0.81 PIK3CA (0.41) LMNAALDH1A1SMN1; SMN2HDAC6HDAC4
SCHEMBL2903277 0.79 ALDH1A1 (0.35) MAPK1TNFNOD1LMNAALDH1A1
SCHEMBL6360222 0.78 TNF (0.41) MAPK1TNFNOD1LMNAALDH1A1
SCHEMBL3384963 0.78 ESR1 (0.57) MAPK1TNFNOD1LMNAALDH1A1
SCHEMBL2368714 0.76 ESR1 (0.40) MAPK1TNFNOD1LMNAALDH1A1
SCHEMBL2368659 0.75 ESR1 (0.39) MAPK1TNFNOD1LMNAALDH1A1
SCHEMBL2368960 0.75 ESR1 (0.39) MAPK1TNFNOD1LMNAALDH1A1
SCHEMBL2900101 0.75 TNF (0.69) MAPK1TNFNOD1LMNAALDH1A1

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 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.