SCHEMBL6793479

SCHEMBL6793479

O=C(OC(=O)C(F)(F)F)c1c2c(nn1CCCNCc1cccc(Cl)c1)-c1ccncc1CC2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.38
ACHE P22303 4/20 0.35
CHRM2 P08172 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 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
SCHEMBL4262543 0.94 ROCK2 (0.39) ROCK2KDM4EALDH1A1MAPTMEN1
SCHEMBL1655980 0.94 ROCK2 (0.38) ROCK2KDM4EALDH1A1MAPTMEN1
SCHEMBL1656586 0.91 ROCK2 (0.34) ROCK2CNR1
SCHEMBL4263963 0.91 CDK2 (0.36) ROCK2ACHEKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL6793472 0.89 ROCK2 (0.39) ROCK2ACHECHRM2KDM4EALDH1A1
SCHEMBL4262249 0.88 MCHR1 (0.34) ROCK2NPC1
SCHEMBL4263856 0.87 ROCK2 (0.36) ROCK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1655452 0.87 NAMPT (0.39) ROCK2
SCHEMBL4264416 0.86 ROCK2 (0.36) ROCK2MAPTMEN1KMT2A
SCHEMBL1658751 0.86 ROCK2 (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 2 patents. 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
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 ROCK2 317/4885ACHE 3673/4885CHRM2 3140/4885

“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.