SCHEMBL2990461

SCHEMBL2990461

CC(C)c1cnc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.39
DYRK3 O43781 3/20 0.37
HTT P42858 1/20 0.37
ALOX5 P09917 8/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CLK1 P49759 2/20 0.34
CLK3 P49761 2/20 0.34
DYRK1A Q13627 2/20 0.34
DYRK2 Q92630 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
ENPP2 Q13822 1/20 0.34
CSNK1E P49674 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK4 Q9NR20 1/20 0.34
PIM1 P11309 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL2990466 1.00 CISD1 (0.39) CISD1DYRK3HTTALOX5MEN1
SCHEMBL2993762 0.87 ALOX5 (0.41) CISD1DYRK3HTTALOX5MEN1
SCHEMBL2993764 0.87 ALOX5 (0.41) CISD1DYRK3HTTALOX5MEN1
SCHEMBL2996035 0.83 CISD1 (0.42) CISD1DYRK3ALOX5MEN1KMT2A
SCHEMBL2996885 0.83 CISD1 (0.41) CISD1DYRK3ALOX5MEN1KMT2A
SCHEMBL2996880 0.83 CISD1 (0.41) CISD1DYRK3ALOX5MEN1KMT2A
SCHEMBL2996033 0.83 CISD1 (0.42) CISD1DYRK3ALOX5MEN1KMT2A
SCHEMBL4157222 0.82 CISD1 (0.41) CISD1DYRK3HTTALOX5MEN1
SCHEMBL4157218 0.82 CISD1 (0.41) CISD1DYRK3HTTALOX5MEN1
SCHEMBL2995141 0.82 CISD1 (0.40) CISD1DYRK3ALOX5MEN1KMT2A

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
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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 (2 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CISD1 3112/4885DYRK3 1471/4885HTT 70/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885DYRK3 3748/4885HTT 81/4885

“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.