SCHEMBL6793907

SCHEMBL6793907

O=C1NCCn2nc3c(c21)CCc1cnc(-c2ccc(OCc4ccccc4)cc2)cc1-3

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.41
XDH P47989 1/20 0.40
GSTP1 P09211 1/20 0.39
PRMT5 O14744 3/20 0.39
WDR5 P61964 1/20 0.39
RIPK3 Q9Y572 1/20 0.38
LCK P06239 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
NTRK1 P04629 1/20 0.37

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
SCHEMBL6788319 0.95 MAPKAPK2 (0.40) MAPKAPK2XDHGSTP1PRMT5WDR5
SCHEMBL6792722 0.89 MAPKAPK2 (0.44) MAPKAPK2LCK
SCHEMBL6794024 0.88 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL4264409 0.85 MAPKAPK2 (0.56) MAPKAPK2
SCHEMBL4260865 0.82 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL4260268 0.82 HTR2B (0.43) MAPKAPK2MAOB
SCHEMBL4444521 0.80 MAPKAPK2 (0.55) MAPKAPK2
SCHEMBL4270927 0.80 MAPKAPK2 (0.41) MAPKAPK2
SCHEMBL1660776 0.80 MAPKAPK2 (0.43) MAPKAPK2
SCHEMBL4265876 0.80 MAPKAPK2 (0.41) MAPKAPK2

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 MAPKAPK2 2/4885XDH 2338/4885GSTP1 4412/4885

“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.