SCHEMBL23245012

SCHEMBL23245012

COc1nc(C(C)C)ccc1-c1cnc2sc(N3CCC(N4CCOCC4)CC3)nn12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.62
HASPIN Q8TF76 9/20 0.62
FLT3 P36888 4/20 0.62
CYP2C8 P10632 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2B6 P20813 1/20 0.62
CYP2C19 P33261 1/20 0.62
KIT P10721 1/20 0.42
PIM1 P11309 1/20 0.42
CDK7 P50613 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.38

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
SCHEMBL29695173 1.00 KCNH2 (0.62) KCNH2HASPINFLT3CYP2C8CYP2C9
SCHEMBL23244781 0.88 KCNH2 (0.61) KCNH2HASPINFLT3CYP2C8CYP2C9
SCHEMBL29695157 0.88 KCNH2 (0.61) KCNH2HASPINFLT3CYP2C8CYP2C9
SCHEMBL29695183 0.88 KCNH2 (0.65) KCNH2HASPINFLT3CYP2C8CYP2C9
SCHEMBL23244918 0.88 KCNH2 (0.65) KCNH2HASPINFLT3CYP2C8CYP2C9
SCHEMBL23288684 0.81 KCNH2 (0.63) KCNH2HASPINFLT3CYP2C8CYP2C9
SCHEMBL23288608 0.80 KCNH2 (0.68) KCNH2HASPINFLT3CYP2C8CYP2C9
SCHEMBL29806017 0.80 KCNH2 (0.63) KCNH2HASPINFLT3CYP2C8CYP2C9
SCHEMBL23244868 0.80 KCNH2 (0.63) KCNH2HASPINFLT3CYP2C8CYP2C9
SCHEMBL23244905 0.80 KCNH2 (0.65) KCNH2HASPINFLT3CYP2C8CYP2C9

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-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 US claimed
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-22 US claimed
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 US disclosed
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-22 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-11597733-B2 Compounds and compositions for the treatment of parasitic diseases ABCB11, SQLE, FURIN KCNH2 434/4885HASPIN 1610/4885FLT3 842/4885
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES ABCB11, SQLE, FURIN KCNH2 434/4885HASPIN 1610/4885FLT3 842/4885

“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.