SCHEMBL29915312

SCHEMBL29915312

CCCCN1CCN(c2ccc(-c3cc4c(C(N)=O)cccc4n3NC(=O)c3cccc4[nH]c(-c5ccc(N6CCN(Cc7ccccc7)CC6)cc5)cc34)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.48
AURKB Q96GD4 3/20 0.48
JAK2 O60674 1/20 0.41
KDR P35968 4/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
SLC6A4 P31645 3/20 0.39
MT-CO2 P00403 1/20 0.39
ALK Q9UM73 1/20 0.38
PARP1 P09874 2/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37

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
SCHEMBL5074098 0.83 AURKA (0.66) AURKAAURKBHTR2AHTR2CSLC6A4
SCHEMBL30417801 0.82 JAK2 (0.54) AURKAAURKBJAK2KDRHTR2A
SCHEMBL5073429 0.82 JAK2 (0.54) AURKAAURKBJAK2KDRHTR2A
SCHEMBL5077266 0.80 AURKA (0.62) AURKAAURKBHTR2AHTR2CSLC6A4
SCHEMBL5074241 0.79 JAK2 (0.51) AURKAAURKBJAK2KDRHTR2A
SCHEMBL5076333 0.78 AURKA (0.58) AURKAAURKBJAK2MT-CO2PARP1
SCHEMBL30418247 0.75 AURKA (0.52) AURKAAURKBJAK2MT-CO2PARP1
SCHEMBL5074053 0.75 AURKA (0.52) AURKAAURKBJAK2MT-CO2PARP1
SCHEMBL5073313 0.74 PARP1 (0.51) AURKAAURKBKDRPARP1DRD2
SCHEMBL5076329 0.72 AURKA (0.49) AURKAAURKBJAK2MT-CO2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 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-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 AURKA 1261/4885AURKB 939/4885JAK2 921/4885

“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.