SCHEMBL3386302

SCHEMBL3386302

COc1ccc(-c2csc3ncnc(NCc4ccccn4)c23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.78
NOD1 Q9Y239 2/20 0.78
MAPK1 P28482 2/20 0.78
CCNC P24863 1/20 0.72
CDK8 P49336 1/20 0.72
ALDH1A1 P00352 2/20 0.64
POLB P06746 2/20 0.64
PKM P14618 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MAPT P10636 5/20 0.64
LMNA P02545 3/20 0.64
PIP4K2C Q8TBX8 1/20 0.63
HTT P42858 2/20 0.61
HPGD P15428 1/20 0.61
FGFR1 P11362 2/20 0.61
TP53 P04637 2/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 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
SCHEMBL3387109 0.91 TNF (0.74) TNFNOD1MAPK1CCNCCDK8
SCHEMBL3387853 0.89 TNF (0.74) TNFNOD1MAPK1CCNCCDK8
SCHEMBL2368708 0.88 TNF (0.83) TNFNOD1MAPK1CCNCCDK8
SCHEMBL2369019 0.88 MAPK1 (1.00) TNFNOD1MAPK1CCNCCDK8
SCHEMBL2368920 0.87 TNF (0.74) TNFNOD1MAPK1CCNCCDK8
SCHEMBL3383483 0.87 TNF (0.70) TNFNOD1MAPK1CCNCCDK8
SCHEMBL3382519 0.86 TNF (0.72) TNFNOD1MAPK1CCNCCDK8
SCHEMBL2368569 0.86 TNF (0.83) TNFNOD1MAPK1CCNCCDK8
SCHEMBL3387956 0.86 TNF (0.83) TNFNOD1MAPK1CCNCCDK8
SCHEMBL2369055 0.85 MAPK1 (0.78) TNFNOD1MAPK1CCNCCDK8

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 TNF 2689/4885NOD1 2052/4885MAPK1 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.