SCHEMBL6797558

SCHEMBL6797558

COC(=O)C1Cn2nc3c(c2C(=O)N1)CCc1cnccc1-3

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.32
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
ROCK2 O75116 3/20 0.31
AAK1 Q2M2I8 3/20 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
SCHEMBL6792481 0.88 PTGER1 (0.32)
SCHEMBL4265887 0.82 CDC7 (0.31)
Trifluoroacetic Acid SCHEMBL4271548 0.81 CCNA2 (0.31)
SCHEMBL4271996 0.81 CHRNB2 (0.31)
SCHEMBL6795479 0.78 MAPKAPK2 (0.30) ROCK2
SCHEMBL6795473 0.78 MAPKAPK2 (0.30) ROCK2
SCHEMBL4446430 0.78
SCHEMBL12804482 0.78 MAPKAPK2 (0.32)
SCHEMBL6796245 0.77
SCHEMBL460089 0.75 CDC7 (0.39)

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 NAMPT 658/4885MMP2 2961/4885ANPEP 3230/4885

“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.