SCHEMBL6794563

SCHEMBL6794563

O=C1NC(CNCc2ccc(Cl)cc2)Cn2nc3c(c21)CCc1cnccc1-3

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.35
HRH3 Q9Y5N1 8/20 0.35
HRH4 Q9H3N8 6/20 0.35
CD274 Q9NZQ7 3/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
PDCD1 Q15116 2/20 0.33
NAMPT P43490 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
HRH1 P35367 2/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4258876 0.92 ROCK2 (0.37) ROCK2ALDH1A1LMNAHPGDALOX12
SCHEMBL4446430 0.82
SCHEMBL4271996 0.81 CHRNB2 (0.31)
SCHEMBL12804482 0.80 MAPKAPK2 (0.32)
SCHEMBL4263939 0.78 ROCK2 (0.39) ROCK2
SCHEMBL4265887 0.75 CDC7 (0.31)
Trifluoroacetic Acid SCHEMBL4260849 0.74 MAPKAPK2 (0.32)
SCHEMBL6794548 0.73
SCHEMBL6792481 0.73 PTGER1 (0.32)
SCHEMBL6796245 0.72

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 317/4885HRH3 1936/4885HRH4 2096/4885

“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.