SCHEMBL6800539

SCHEMBL6800539

O=C(O)c1c2c(nn1CC(O)CN1CCCC1)-c1ccncc1CC2.[LiH]

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
CTSS P25774 9/20 0.36
PLK1 P53350 4/20 0.35
ABCB1 P08183 2/20 0.34
AURKA O14965 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL6794518 0.99 PLK1 (0.36) PRMT5WDR77CTSSPLK1ABCB1
SCHEMBL6787013 0.91 PRMT5 (0.38) PRMT5WDR77CTSSPLK1ABCB1
Lithium Ion SCHEMBL6800533 0.90 PRMT5 (0.35) PRMT5WDR77CTSSABCB1AURKA
Lithium Ion SCHEMBL6794513 0.89 PRMT5 (0.35) PRMT5WDR77CTSSABCB1AURKA
Hydrochloric Acid SCHEMBL6794118 0.89 CTSS (0.38) PRMT5WDR77CTSSRAD52
SCHEMBL6793863 0.88 CTSS (0.38) PRMT5WDR77CTSS
SCHEMBL6792094 0.86 PRMT5 (0.38) PRMT5WDR77CTSS
SCHEMBL6792457 0.84 AGER (0.36)
SCHEMBL6793583 0.84 CARM1 (0.37) PRMT5WDR77
Trifluoroacetic Acid SCHEMBL6794707 0.84 CTSS (0.37) CTSS

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 PRMT5 1416/4885WDR77 2717/4885CTSS 3602/4885

“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.