SCHEMBL6360281

SCHEMBL6360281

O=C(O)C1CCN(c2nc(NCc3ccccn3)c3c(-c4ccc(F)cc4)csc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.49
NOD1 Q9Y239 2/20 0.49
MAPK1 P28482 1/20 0.49
KCNA5 P22460 4/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
ADRB3 P13945 3/20 0.40
CSNK1E P49674 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CDK7 P50613 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL3385141 0.92 TNF (0.45) TNFNOD1MAPK1KCNA5LMNA
SCHEMBL3387496 0.85 CSNK1D (0.51) TNFNOD1MAPK1KCNA5LMNA
SCHEMBL15893245 0.85 TNF (0.52) TNFNOD1MAPK1KCNA5LMNA
SCHEMBL12818588 0.85 TNF (0.52) TNFNOD1MAPK1KCNA5LMNA
SCHEMBL12817292 0.85 TNF (0.52) TNFNOD1MAPK1KCNA5LMNA
SCHEMBL12817304 0.85 TNF (0.52) TNFNOD1MAPK1KCNA5LMNA
SCHEMBL2369183 0.83 TNF (0.56) TNFNOD1MAPK1KCNA5LMNA
SCHEMBL3387615 0.80 TNF (0.59) TNFNOD1MAPK1KCNA5LMNA
SCHEMBL2368519 0.80 TNF (0.59) TNFNOD1MAPK1KCNA5LMNA
SCHEMBL12966230 0.78 TNF (0.47) TNFNOD1MAPK1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 US 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.