SCHEMBL6793835

SCHEMBL6793835

NC1CCC(NCC(O)Cn2nc3c(c2C(=O)O)CCc2cnccc2-3)CC1.[LiH]

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ADRB3 P13945 2/20 0.32
SMYD3 Q9H7B4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 SCHEMBL6793825 0.92 SMYD3 (0.32) HRH1HRH4SMYD3
SCHEMBL6795006 0.87 PRMT5 (0.41)
SCHEMBL6793583 0.84 CARM1 (0.37)
Trifluoroacetic Acid SCHEMBL6794707 0.80 CTSS (0.37)
Lithium Ion SCHEMBL6790495 0.79 PRMT5 (0.40)
SCHEMBL6793863 0.78 CTSS (0.38) KMT2A
SCHEMBL6800539 0.78 PRMT5 (0.36)
SCHEMBL6794518 0.77 PLK1 (0.36) KDM4EKMT2A
SCHEMBL6792457 0.77 AGER (0.36) KMT2A
SCHEMBL6787031 0.76 ROCK2 (0.39) KMT2A

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 HRH1 2236/4885HRH4 2096/4885ADRB3 2199/4885

“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.