SCHEMBL3386927

SCHEMBL3386927

COc1ccc(-c2csc3ncnc(NCc4ccco4)c23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.68
CDK8 P49336 1/20 0.68
LMNA P02545 5/20 0.60
ALDH1A1 P00352 4/20 0.60
HTT P42858 2/20 0.60
HPGD P15428 2/20 0.60
MAPT P10636 7/20 0.60
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TP53 P04637 3/20 0.57
FGFR1 P11362 2/20 0.57
MAPK1 P28482 3/20 0.55
POLB P06746 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54

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
SCHEMBL2368689 0.89 ALDH1A1 (0.61) CCNCCDK8LMNAALDH1A1HTT
SCHEMBL2368308 0.87 MAPK1 (0.65) CCNCCDK8LMNAALDH1A1HTT
SCHEMBL2368805 0.86 LMNA (0.66) CCNCCDK8LMNAALDH1A1HTT
SCHEMBL3385444 0.86 ALDH1A1 (0.66) CCNCCDK8LMNAALDH1A1HTT
SCHEMBL3384732 0.86 ALDH1A1 (0.53) CCNCCDK8LMNAALDH1A1HTT
SCHEMBL27639989 0.84 CCNC (0.53) CCNCCDK8LMNAALDH1A1HTT
SCHEMBL2369079 0.84 ALDH1A1 (0.56) CCNCCDK8LMNAALDH1A1HTT
SCHEMBL3386302 0.80 TNF (0.78) CCNCCDK8LMNAALDH1A1HTT
SCHEMBL2368854 0.80 SMN1; SMN2 (0.59) CCNCCDK8LMNAALDH1A1HTT
SCHEMBL3382531 0.79 SMN1; SMN2 (0.65) LMNAALDH1A1HTTHPGDMAPT

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 5 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
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 CCNC 3903/4885CDK8 4464/4885LMNA 1126/4885

“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.