SCHEMBL4926488

SCHEMBL4926488

CN(C)CCCc1nc2c(C(N)=O)[c]ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 1/20 0.38
CHEK2 O96017 2/20 0.34
DYRK3 O43781 1/20 0.34
MAP4K4 O95819 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PKN2 Q16513 1/20 0.34
PIM3 Q86V86 1/20 0.34
BRSK1 Q8TDC3 1/20 0.34
AURKB Q96GD4 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
STK17A Q9UEE5 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
PARP1 P09874 4/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 1/20 0.32

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
SCHEMBL5235812 0.75 PIM1 (0.38) PIM1CHEK2PIM3BRSK1AURKB
SCHEMBL2909240 0.68 PARP1 (0.58) PARP1ALDH1A1MAPT
SCHEMBL6259695 0.67 PARP1 (0.60) PIM1CHEK2DYRK3MAP4K4RPS6KB1
SCHEMBL3750076 0.65 HCRTR1 (0.31)
SCHEMBL15223716 0.64 HTT (0.40) CYP2C9CYP2C19BCHEACHETERT
SCHEMBL9521781 0.64 POLB (0.72) BCHEACHEALDH1A1
SCHEMBL8756083 0.63 TAAR1 (0.41) ACHE
SCHEMBL4926496 0.63 MAPT (0.56) BCHEACHEALDH1A1MAPT
SCHEMBL18344016 0.63 HTT (0.37) ALDH1A1MAPT
SCHEMBL461964 0.63 PARP1 (0.58) PARP1

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-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 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-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 PIM1 3683/4885PIM2 3882/4885CHEK2 1463/4885

“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.