SCHEMBL3384963

SCHEMBL3384963

Cc1cccc(CNc2nc(Cl)nc3scc(-c4ccc(F)cc4)c23)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.57
TNF P01375 1/20 0.41
MAPK1 P28482 1/20 0.41
NOD1 Q9Y239 1/20 0.41
KCNA5 P22460 2/20 0.40
JAK2 O60674 1/20 0.40
IGF1R P08069 1/20 0.40
PIM1 P11309 1/20 0.40
SRC P12931 1/20 0.40
CSNK2A2 P19784 1/20 0.40
JAK1 P23458 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
TYK2 P29597 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40
MAP3K8 P41279 1/20 0.40
CSNK1A1 P48729 1/20 0.40
GSK3B P49841 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL2368773 0.91 ESR1 (0.70) ESR1TNFMAPK1NOD1KCNA5
SCHEMBL2368714 0.85 ESR1 (0.40) ESR1TNFMAPK1NOD1KCNA5
SCHEMBL3385334 0.84 ESR1 (0.61) ESR1TNFMAPK1NOD1KCNA5
SCHEMBL2368960 0.84 ESR1 (0.39) ESR1TNFMAPK1NOD1KCNA5
SCHEMBL2368659 0.84 ESR1 (0.39) ESR1TNFMAPK1NOD1KCNA5
SCHEMBL6360222 0.84 TNF (0.41) ESR1TNFMAPK1NOD1KCNA5
SCHEMBL2905228 0.83 LMNA (0.39) ESR1TNFMAPK1NOD1ALDH1A1
SCHEMBL2368403 0.83 ESR1 (0.38) ESR1TNFMAPK1NOD1KCNA5
SCHEMBL2369002 0.82 ESR1 (0.48) ESR1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL2368702 0.81 LMNA (0.40) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1823071-A Thienopyrimidine derivatives as potassium channel inhibitors XENTION DISCOVERY LTD (GB) 2006-08-23 CN disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 US disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 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 (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.