SCHEMBL6794149

SCHEMBL6794149

O=C(OC(=O)C(F)(F)F)c1c2c(nn1CCCNCCc1ccc(-c3ccc4c(c3)OCO4)cc1)-c1ccncc1CC2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.38
ROCK2 O75116 6/20 0.36
SCD5 Q86SK9 1/20 0.32
FAAH O00519 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
SLC13A5 Q86YT5 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL1655956 0.90 ROCK2 (0.30) ROCK2
Trifluoroacetic Acid SCHEMBL6794145 0.90 HTR5A (0.44) HTR5AROCK2SCD5FAAHFLT1
SCHEMBL4259042 0.89 HTR5A (0.33) HTR5AROCK2
SCHEMBL4257280 0.89 TRPV1 (0.34) ROCK2FLT1KDR
SCHEMBL6792403 0.88 ROCK2 (0.35) ROCK2
SCHEMBL4267034 0.88 ROCK2 (0.32) HTR5AROCK2
SCHEMBL4257197 0.88 TRPV1 (0.33)
SCHEMBL4262275 0.88 FLT3 (0.35) HTR5AFLT1KDR
SCHEMBL4259036 0.87 KCNK3 (0.36) ROCK2SLC13A5
SCHEMBL4262249 0.87 MCHR1 (0.34) ROCK2

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 claimed

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 HTR5A 2230/4885ROCK2 317/4885SCD5 3450/4885

“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.