SCHEMBL6790941

SCHEMBL6790941

N#CCCCN1CCn2nc3c(c2C1=O)CCc1cnccc1-3

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 1/20 0.32
AAK1 Q2M2I8 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
Hydrochloric Acid SCHEMBL6788008 0.87 TDP1 (0.33)
Hydrochloric Acid SCHEMBL6794539 0.86 PDPK1 (0.31)
Hydrochloric Acid SCHEMBL4263968 0.81 PDPK1 (0.33) AAK1
SCHEMBL6798659 0.80 SIGMAR1 (0.36)
Trifluoroacetic Acid SCHEMBL6793726 0.79 NAMPT (0.34)
Hydrochloric Acid SCHEMBL6798947 0.78 GRIN2B (0.34)
SCHEMBL6794985 0.76 SIGMAR1 (0.32)
SCHEMBL6799797 0.73 AAK1 (0.35) AAK1
Hydrochloric Acid SCHEMBL6792044 0.73 ROCK2 (0.32)
SCHEMBL6793213 0.72 SIGMAR1 (0.35) AAK1

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 RIPK3 479/4885AAK1 335/4885

“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.