SCHEMBL6792403

SCHEMBL6792403

O=C(OC(=O)C(F)(F)F)c1c2c(nn1CCCNCCc1ccc(-c3ccc(Cl)cc3)cc1)-c1ccncc1CC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.35
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 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
SCHEMBL4264416 0.98 ROCK2 (0.36) ROCK2TRPA1LMNACYP3A4CYP2C9
SCHEMBL1658751 0.95 ROCK2 (0.34) ROCK2TRPA1LMNACYP3A4CYP2C9
SCHEMBL1655956 0.95 ROCK2 (0.30) ROCK2
SCHEMBL4259042 0.93 HTR5A (0.33) ROCK2
SCHEMBL4257280 0.93 TRPV1 (0.34) ROCK2
SCHEMBL4262249 0.93 MCHR1 (0.34) ROCK2
SCHEMBL4267034 0.92 ROCK2 (0.32) ROCK2
SCHEMBL4257197 0.92 TRPV1 (0.33)
SCHEMBL4262275 0.92 FLT3 (0.35)
SCHEMBL4270594 0.92 AURKA (0.31)

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 ROCK2 317/4885TRPA1 3263/4885LMNA 4286/4885

“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.