SCHEMBL2992644

SCHEMBL2992644

CN(C)CCN(C)c1cnc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.38
DYRK3 O43781 3/20 0.35
CSNK1E P49674 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK4 Q9NR20 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MCHR1 Q99705 3/20 0.34
WEE1 P30291 1/20 0.34
ATM Q13315 1/20 0.34
MELK Q14680 3/20 0.33
ALOX5 P09917 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LCK P06239 2/20 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
SCHEMBL2992647 1.00 CISD1 (0.38) CISD1DYRK3CSNK1ECLK1CLK2
SCHEMBL2991036 0.92 CISD1 (0.39) CISD1DYRK3CSNK1ECLK1CLK2
SCHEMBL2991032 0.92 CISD1 (0.39) CISD1DYRK3CSNK1ECLK1CLK2
SCHEMBL2995154 0.89 CISD1 (0.39) CISD1DYRK3CSNK1ECLK1CLK2
SCHEMBL2995162 0.89 CISD1 (0.39) CISD1DYRK3CSNK1ECLK1CLK2
SCHEMBL2994963 0.88 CISD1 (0.38) CISD1DYRK3CSNK1ECLK1CLK2
SCHEMBL2994960 0.88 CISD1 (0.38) CISD1DYRK3CSNK1ECLK1CLK2
SCHEMBL2999159 0.84 DYRK3 (0.41) CISD1DYRK3CSNK1ECLK1CLK2
SCHEMBL2999161 0.84 DYRK3 (0.41) CISD1DYRK3CSNK1ECLK1CLK2
SCHEMBL2990603 0.82 CISD1 (0.39) CISD1DYRK3CSNK1ECLK1CLK2

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 3 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
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 1471/4885CSNK1E 931/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885DYRK3 3748/4885CSNK1E 1954/4885

“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.