SCHEMBL6793554

SCHEMBL6793554

O=C1NCCCn2nc3c(ccc4cc(OC(=O)C(F)(F)F)c(-c5cccc([N+](=O)[O-])c5)cc43)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
ADRA2A P08913 3/20 0.33
ADRA2B P18089 3/20 0.33
ADRA2C P18825 3/20 0.33
TOP1 P11387 1/20 0.33
MET P08581 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL6787358 0.87 POLB (0.40) ALDH1A1MAPTADRA2AADRA2BADRA2C
SCHEMBL4260060 0.80 ALPL (0.34) ALPLALPIALDH1A1MAPTADRA2A
SCHEMBL6791684 0.74 MAPT (0.35) ALPLALPIALDH1A1MAPTMET
SCHEMBL6786885 0.73 GABRA1 (0.36) ALPLALPIALDH1A1MAPTPDE4A
Trifluoroacetic Acid SCHEMBL4260056 0.69 KDM1A (0.37) ALPLALPIALDH1A1MAPTMET
SCHEMBL6791559 0.68 MAPKAPK2 (0.32)
SCHEMBL6787144 0.66 MEN1 (0.39) MAPTADRA2AADRA2BADRA2CMET
SCHEMBL4444184 0.63 MAPKAPK2 (0.40) MAPTTOP1METKMT2A
SCHEMBL14188387 0.62 CDC7 (0.47) ALDH1A1MAPTPDE4DLMNAMEN1
SCHEMBL1655983 0.62 KMT2A (0.35) ALPLALPIALDH1A1MAPTPOLB

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 ALPL 3297/4885ALPI 2037/4885ALDH1A1 4449/4885

“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.