SCHEMBL2996074

SCHEMBL2996074

CC(=O)N(c1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4nccnc4c3)S2)c1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 2/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
CLK1 P49759 2/20 0.37
DYRK1A Q13627 2/20 0.37
DYRK2 Q92630 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
PIK3CD O00329 1/20 0.37
CSNK2A2 P19784 1/20 0.37
MAOB P27338 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
DYRK3 O43781 2/20 0.36
CSNK1E P49674 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36

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
SCHEMBL2996069 1.00 CISD1 (0.38) CISD1NPC1RAB9ACLK1DYRK1A
SCHEMBL2986019 0.91 DYRK3 (0.42) CISD1NPC1RAB9ACLK1DYRK1A
SCHEMBL2986014 0.91 DYRK3 (0.42) CISD1NPC1RAB9ACLK1DYRK1A
SCHEMBL2993960 0.85 CLK1 (0.38) CISD1NPC1RAB9ACLK1DYRK1A
SCHEMBL2993957 0.85 CLK1 (0.38) CISD1NPC1RAB9ACLK1DYRK1A
SCHEMBL2994951 0.81 KMT2A (0.41) CISD1NPC1RAB9ACLK1DYRK1A
SCHEMBL2994948 0.81 KMT2A (0.41) CISD1NPC1RAB9ACLK1DYRK1A
SCHEMBL2989589 0.81 NPC1 (0.41) CISD1NPC1RAB9ACLK1DYRK1A
SCHEMBL2989591 0.81 NPC1 (0.41) CISD1NPC1RAB9ACLK1DYRK1A
SCHEMBL2987482 0.79 CLK1 (0.39) CISD1NPC1RAB9ACLK1DYRK1A

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885NPC1 2692/4885RAB9A 2892/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 CISD1 3112/4885NPC1 2040/4885RAB9A 1181/4885

“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.