SCHEMBL2424616

SCHEMBL2424616

O=C1NC(=O)/C(=C\c2ccncc2)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 5/20 1.00
▸ MAOA P21397 3/20 1.00
▸ GSK3B P49841 3/20 1.00
▸ TDP1 Q9NUW8 2/20 0.70
▸ PIM1 P11309 9/20 0.68
▸ PIM2 Q9P1W9 8/20 0.68
▸ PIM3 Q86V86 1/20 0.68
▸ HPGD P15428 3/20 0.66
▸ RAB9A P51151 3/20 0.66
▸ MAOB P27338 2/20 0.66
▸ AKR1B1 P15121 2/20 0.66
▸ NPC1 O15118 2/20 0.62
▸ PIK3CD O00329 1/20 0.62
▸ CSNK2A2 P19784 1/20 0.62
▸ PIK3CA P42336 1/20 0.62
▸ PIK3CB P42338 1/20 0.62
▸ MTOR P42345 1/20 0.62
▸ PIK3CG P48736 1/20 0.62
▸ CLK1 P49759 1/20 0.62
▸ CSNK2B P67870 1/20 0.62

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
SCHEMBL1249998 1.00 CISD1 (1.00) CISD1MAOAGSK3BTDP1PIM1
SCHEMBL1250001 1.00 CISD1 (1.00) CISD1MAOAGSK3BTDP1PIM1
SCHEMBL23094478 0.84 CISD1 (0.73) CISD1MAOAGSK3BTDP1PIM1
SCHEMBL8310397 0.84 CISD1 (1.00) CISD1MAOAGSK3BTDP1RAB9A
SCHEMBL8310399 0.84 CISD1 (1.00) CISD1MAOAGSK3BTDP1RAB9A
SCHEMBL14860989 0.82 TDP1 (1.00) CISD1MAOAGSK3BTDP1HPGD
SCHEMBL14860991 0.82 TDP1 (1.00) CISD1MAOAGSK3BTDP1HPGD
SCHEMBL14860992 0.82 TDP1 (1.00) CISD1MAOAGSK3BTDP1HPGD
SCHEMBL23094695 0.82 GSK3B (1.00) CISD1MAOAGSK3BTDP1PIM1
SCHEMBL1125013 0.81 PIM1 (0.72) CISD1MAOAGSK3BTDP1PIM1

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-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 CISD1 4266/4885MAOA 2538/4885GSK3B 82/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 CISD1 4302/4885MAOA 2767/4885GSK3B 76/4885

“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.

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