SCHEMBL4929686

SCHEMBL4929686

CC(C(=O)O)c1nc2cccnc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.45
POLB P06746 2/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 5/20 0.40
NPC1 O15118 4/20 0.40
TP53 P04637 6/20 0.39
THRB P10828 2/20 0.39
CYP2C9 P11712 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 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
SCHEMBL31003221 0.81 PDK1 (0.50) PDK1POLBGAALMNANPC1
SCHEMBL2624385 0.80 PDK1 (0.53) PDK1POLBGAALMNANPC1
SCHEMBL21275554 0.78 PDK1 (0.50) PDK1POLBGAALMNANPC1
SCHEMBL3963337 0.76 HPGD (0.60) GAALMNANPC1TP53CYP2C9
SCHEMBL4933136 0.76 ALDH1A1 (0.33) ALDH1A1MEN1HPGDTSHRKMT2A
SCHEMBL21008350 0.75 POLB (0.53) PDK1POLBGAALMNANPC1
SCHEMBL4364050 0.74 PDK1 (0.41) PDK1POLBGAALMNANPC1
SCHEMBL12241716 0.73 POLB (0.54) PDK1POLBGAALMNANPC1
SCHEMBL30943923 0.72 PDK1 (0.56) PDK1POLBGAALMNANPC1
SCHEMBL2645378 0.72 PDK1 (0.56) PDK1POLBGAALMNANPC1

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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 PDK1 4504/4885POLB 4214/4885GAA 3527/4885

“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.