SCHEMBL21809189

SCHEMBL21809189

CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(c2nc(I)c(I)[nH]2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRMT5 O14744 6/20 0.41
ROCK2 O75116 1/20 0.41
MAPT P10636 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39

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
SCHEMBL1041817 0.87 PARP1 (0.45) PARP1PDK1PDK2PDK3PDK4
SCHEMBL21809195 0.86 PARP1 (0.48) PARP1PDK1PDK2PDK3PDK4
SCHEMBL12509303 0.84 PARP1 (0.46) PARP1PDK1PDK2PDK3PDK4
SCHEMBL12509783 0.84 PARP1 (0.46) PARP1PDK1PDK2PDK3PDK4
SCHEMBL934303 0.83 PARP1 (0.43) PARP1PDK1PDK2PDK3PDK4
SCHEMBL2775036 0.83 PARP1 (0.45) PARP1PDK1PDK2PDK3PDK4
SCHEMBL2195863 0.82 PARP1 (0.44) PARP1PDK1PDK2PDK3PDK4
SCHEMBL12422788 0.82 PARP1 (0.44) PARP1PDK1PDK2PDK3PDK4
SCHEMBL21809244 0.82 PARP1 (0.49) PARP1PDK1PDK2PDK3PDK4
SCHEMBL21864904 0.82 PARP1 (0.49) PARP1PDK1PDK2PDK3PDK4

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-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US disclosed
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US disclosed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 US disclosed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 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-10815222-B2 Compounds for use in the treatment of kinetoplastid infection NISCH, TK2, FDPS PARP1 1527/4885PDK1 42/4885PDK2 75/4885
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION NISCH, TK2, FDPS PARP1 1527/4885PDK1 42/4885PDK2 75/4885

“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.