SCHEMBL3387496

SCHEMBL3387496

Fc1ccc(-c2csc3nc(N4CCOCC4)nc(NCc4ccccn4)c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.51
TNF P01375 2/20 0.51
NOD1 Q9Y239 2/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
KCNA5 P22460 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NCOA1 Q15788 1/20 0.42

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
SCHEMBL2368519 0.93 TNF (0.59) CSNK1DTNFNOD1MAPK1MAPT
SCHEMBL6360281 0.85 TNF (0.49) TNFNOD1MAPK1LMNAALDH1A1
SCHEMBL3385141 0.83 TNF (0.45) TNFNOD1MAPK1LMNAALDH1A1
SCHEMBL3387615 0.82 TNF (0.59) TNFNOD1MAPK1KDM4ELMNA
SCHEMBL2368795 0.80 TNF (0.59) TNFNOD1MAPK1MAPTKDM4E
SCHEMBL3386735 0.80 TNF (0.59) TNFNOD1MAPK1MAPTHTT
SCHEMBL3385334 0.80 ESR1 (0.61) TNFNOD1MAPK1MAPTKDM4E
SCHEMBL3383765 0.80 TNF (0.71) TNFNOD1MAPK1MAPTHTT
SCHEMBL2369183 0.79 TNF (0.56) TNFNOD1MAPK1LMNAALDH1A1
SCHEMBL2368786 0.79 TNF (0.57) TNFNOD1MAPK1MAPTKDM4E

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 CSNK1D 2143/4885TNF 2689/4885NOD1 2052/4885

“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.