SCHEMBL2368960

SCHEMBL2368960

Cc1cccc(CNc2nc(C(CO)CO)nc3scc(-c4ccc(F)cc4)c23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.39
TNF P01375 1/20 0.38
MAPK1 P28482 1/20 0.38
NOD1 Q9Y239 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
KCNA5 P22460 1/20 0.36
FGFR1 P11362 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PIP4K2C Q8TBX8 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
SCHEMBL2368753 0.91 ESR1 (0.48) ESR1TNFMAPK1NOD1LMNA
SCHEMBL2369286 0.86 PRKCZ (0.37) ESR1TNFMAPK1NOD1LMNA
Butane SCHEMBL6359950 0.86 ESR1 (0.38) ESR1TNFMAPK1NOD1LMNA
SCHEMBL2369260 0.86 TNF (0.55) ESR1TNFMAPK1NOD1LMNA
SCHEMBL2369291 0.84 CYP1A2 (0.41) ESR1MAPK1LMNAALDH1A1HPGD
SCHEMBL3384963 0.84 ESR1 (0.57) ESR1TNFMAPK1NOD1LMNA
SCHEMBL2369569 0.84 PRKCI (0.37) ESR1ALDH1A1HPGDKCNA5HDAC6
SCHEMBL2368714 0.84 ESR1 (0.40) ESR1TNFMAPK1NOD1LMNA
SCHEMBL2368659 0.83 ESR1 (0.39) ESR1TNFMAPK1NOD1LMNA
SCHEMBL2368403 0.81 ESR1 (0.38) ESR1TNFMAPK1NOD1LMNA

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
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
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.