SCHEMBL6793583

SCHEMBL6793583

CNCC(O)Cn1nc2c(c1C(=O)O)CCc1cnccc1-2.[LiH]

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 15/20 0.37
SLC6A2 P23975 1/20 0.37
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
PRMT6 Q96LA8 1/20 0.32
PRMT1 Q99873 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 SCHEMBL6793578 0.90 CARM1 (0.36) CARM1SLC6A2PRMT5WDR77PRMT6
SCHEMBL6795006 0.84 PRMT5 (0.41) PRMT5
SCHEMBL6800539 0.84 PRMT5 (0.36) PRMT5WDR77
SCHEMBL6793835 0.84 HRH1 (0.32)
SCHEMBL6794518 0.83 PLK1 (0.36) PRMT5WDR77
SCHEMBL6792457 0.82 AGER (0.36)
SCHEMBL6787031 0.82 ROCK2 (0.39) PRMT5WDR77
SCHEMBL6787013 0.82 PRMT5 (0.38) PRMT5WDR77
SCHEMBL6791734 0.81 ROCK2 (0.41)
Hydrochloric Acid SCHEMBL4263501 0.81 CYP3A4 (0.34) SLC6A2

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 CARM1 4737/4885SLC6A2 4552/4885PRMT5 1416/4885

“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.