SCHEMBL2897597

SCHEMBL2897597

Cc1cccc(CNc2cc(NCCO)nc3scc(-c4ccc(F)cc4)c23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
JAK2 O60674 1/20 0.34
TGM2 P21980 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL2899174 0.86 TNF (0.47) PIK3CAALDH1A1LMNAMAPK14NPC1
SCHEMBL2905228 0.85 LMNA (0.39) ALDH1A1LMNAHPGDRXFP1SIRT5
SCHEMBL2903277 0.84 ALDH1A1 (0.35) ALDH1A1LMNAHPGDRXFP1SIRT5
SCHEMBL2368659 0.82 ESR1 (0.39) ALDH1A1LMNAHPGDRXFP1SIRT5
SCHEMBL2897786 0.81 MAPK1 (0.41) ALDH1A1LMNAHPGDRXFP1SIRT5
SCHEMBL2896971 0.78 TNF (0.55) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL2368714 0.77 ESR1 (0.40) ALDH1A1LMNAHPGDRXFP1SIRT5
SCHEMBL3384963 0.76 ESR1 (0.57) ALDH1A1LMNAHPGDRXFP1SIRT5
SCHEMBL2368403 0.75 ESR1 (0.38) ALDH1A1LMNAHPGDRXFP1SIRT5
SCHEMBL2368960 0.75 ESR1 (0.39) ALDH1A1LMNAHPGDRXFP1SIRT5

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 PIK3CA 3408/4885ALDH1A1 3155/4885LMNA 2770/4885
US-20060183768-A1 Compounds SCN7A, CBR3, SCN8A PIK3CA 3785/4885ALDH1A1 2799/4885LMNA 2895/4885

“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.