SCHEMBL6793863

SCHEMBL6793863

NC(=O)C1CCN(CC(O)Cn2nc3c(c2C(=O)O)CCc2cnccc2-3)CC1.[LiH]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MAPT P10636 1/20 0.33
CFTR P13569 1/20 0.32
VNN1 O95497 1/20 0.32

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
Lithium Ion SCHEMBL6793854 0.91 CTSS (0.37) CTSSMEN1KMT2AALDH1A1TDP1
SCHEMBL6800539 0.88 PRMT5 (0.36) CTSSPRMT5WDR77
SCHEMBL6794518 0.87 PLK1 (0.36) CTSSMEN1KMT2AALDH1A1PRMT5
SCHEMBL6787013 0.85 PRMT5 (0.38) CTSSALDH1A1PRMT5WDR77
Trifluoroacetic Acid SCHEMBL6794707 0.85 CTSS (0.37) CTSS
Hydrochloric Acid SCHEMBL6794118 0.84 CTSS (0.38) CTSSALDH1A1PRMT5WDR77MAPT
Trifluoroacetic Acid SCHEMBL6787093 0.81 MCHR2 (0.34) CTSSALDH1A1CFTR
SCHEMBL6792094 0.81 PRMT5 (0.38) CTSSPRMT5WDR77
SCHEMBL6792457 0.79 AGER (0.36) MEN1KMT2A
Lithium Ion SCHEMBL6800533 0.79 PRMT5 (0.35) CTSSPRMT5WDR77

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 CTSS 3602/4885MEN1 1382/4885KMT2A 1257/4885

“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.