SCHEMBL6794518

SCHEMBL6794518

O=C(O)c1c2c(nn1CC(O)CN1CCCCC1)-c1ccncc1CC2.[LiH]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ABCB1 P08183 3/20 0.35
CTSS P25774 7/20 0.35
AURKA O14965 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAD52 P43351 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 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
SCHEMBL6800539 0.99 PRMT5 (0.36) PLK1PRMT5WDR77ABCB1CTSS
SCHEMBL6787013 0.90 PRMT5 (0.38) PLK1PRMT5WDR77ABCB1CTSS
Lithium Ion SCHEMBL6794513 0.90 PRMT5 (0.35) PRMT5WDR77ABCB1CTSSAURKA
Lithium Ion SCHEMBL6800533 0.89 PRMT5 (0.35) PRMT5WDR77ABCB1CTSSAURKA
Hydrochloric Acid SCHEMBL6794118 0.89 CTSS (0.38) PRMT5WDR77CTSSKDM4EALDH1A1
SCHEMBL6793863 0.87 CTSS (0.38) PRMT5WDR77CTSSMEN1KMT2A
SCHEMBL6792094 0.85 PRMT5 (0.38) PRMT5WDR77CTSS
SCHEMBL6793766 0.84 CCNA2 (0.39) AURKACCNA2CDK2CCNA1CHRM2
SCHEMBL6792457 0.83 AGER (0.36) MEN1KMT2A
SCHEMBL6793583 0.83 CARM1 (0.37) PRMT5WDR77

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 PLK1 101/4885PRMT5 1416/4885WDR77 2717/4885

“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.