SCHEMBL2368403

SCHEMBL2368403

Cc1cccc(CNc2nc(N(CCO)CCO)nc3scc(-c4ccc(F)cc4)c23)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.38
TNF P01375 1/20 0.37
MAPK1 P28482 1/20 0.37
NOD1 Q9Y239 1/20 0.37
CCNE2 O96020 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
KCNA5 P22460 1/20 0.35
PRUNE1 Q86TP1 1/20 0.34
FGFR1 P11362 1/20 0.34
TGM2 P21980 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2368642 0.92 ESR1 (0.47) ESR1TNFMAPK1NOD1CCNE2
SCHEMBL6416202 0.89 ESR1 (0.39) ESR1TNFMAPK1NOD1ALDH1A1
SCHEMBL3386430 0.86 TNF (0.53) ESR1TNFMAPK1NOD1CCNE1
SCHEMBL2368351 0.85 CCNE2 (0.41) ESR1MAPK1CCNE2CCNE1CDK2
SCHEMBL2368725 0.85 MEN1 (0.38) CCNE2CCNE1CDK2ALDH1A1KCNA5
SCHEMBL2368714 0.84 ESR1 (0.40) ESR1TNFMAPK1NOD1ALDH1A1
SCHEMBL2368659 0.83 ESR1 (0.39) ESR1TNFMAPK1NOD1ALDH1A1
SCHEMBL2903277 0.83 ALDH1A1 (0.35) ESR1TNFMAPK1NOD1ALDH1A1
SCHEMBL3384963 0.83 ESR1 (0.57) ESR1TNFMAPK1NOD1CCNE1
SCHEMBL2368960 0.81 ESR1 (0.39) ESR1TNFMAPK1NOD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 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 (1 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-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 ESR1 4494/4885TNF 2689/4885MAPK1 667/4885

“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.