SCHEMBL12390148

SCHEMBL12390148

CC(C)(C)OC(=O)NCCCNc1nc(NCCS)nc(NCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.46
▸ STK17B O94768 1/20 0.46
▸ STK17A Q9UEE5 1/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ BRD4 O60885 4/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ SIRT5 Q9NXA8 3/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CA2 P00918 1/20 0.42

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
SCHEMBL12390139 0.89 STK17B (0.54) NPSR1STK17BSTK17AADORA2AADORA1
SCHEMBL8889354 0.83 SIRT5 (0.60) NPSR1BRD4SIRT5BCHEMEN1
SCHEMBL31436060 0.82 STK17B (0.58) NPSR1STK17BSTK17AADORA2AADORA1
SCHEMBL12390142 0.81 TDP1 (0.49) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL12390151 0.81 TDP1 (0.49) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL6559442 0.78 ATM (0.55) NPSR1CYP3A4IDO1CA1CA12
SCHEMBL16134193 0.77 STK17B (0.51) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436080 0.77 TDP1 (0.58) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436112 0.77 TDP1 (0.62) STK17BSTK17AADORA2AADORA1ADORA2B
SCHEMBL31436097 0.76 STK17B (0.50) STK17BSTK17AADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999101-B2 Genetic material complexing and internalizing capacity; low cytotoxicity; such as 2-[4-(3-amino-propylamino)-6-tetradecylamino-[1,3,5]triazin-2-ylamino]-ethanethiol or its disulphide dimer POLITECNICO DI MILANO (IT) 2011-08-16 — — US disclosed
US-7999101-B2 Genetic material complexing and internalizing capacity; low cytotoxicity; such as 2-[4-(3-amino-propylamino)-6-tetradecylamino-[1,3,5]triazin-2-ylamino]-ethanethiol or its disulphide dimer POLITECNICO DI MILANO (IT) 2011-08-16 — — US disclosed
US-20080146518-A1 Cationic Lipids for the Transfection of Nucleic Acids POLITECNICO DI MILANO (IL) 2008-06-19 — — US disclosed
US-20080146518-A1 Cationic Lipids for the Transfection of Nucleic Acids POLITECNICO DI MILANO (IL) 2008-06-19 — — 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-20080146518-A1 Cationic Lipids for the Transfection of Nucleic Acids AARS1, HARS1, LPAR3 NPSR1 1716/4885STK17B 4300/4885STK17A 4472/4885

“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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