SCHEMBL4991405

SCHEMBL4991405

Nc1ncnc2c1CCN(S(=O)(=O)c1ccc(F)cc1Cl)C2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 12/20 0.45
TRPC5 Q9UL62 1/20 0.41
EPHX2 P34913 1/20 0.40
P2RX7 Q99572 1/20 0.39
HSD11B1 P28845 2/20 0.39
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4989386 0.89 MKNK1 (0.52) MKNK1ALDH1A1
SCHEMBL4986276 0.87 POLB (0.47) MKNK1
SCHEMBL4989313 0.86 MKNK1 (0.51) MKNK1HSD11B1ALDH1A1
SCHEMBL4986052 0.85 CHRM4 (0.43) MKNK1TRPC5P2RX7HSD11B1
SCHEMBL4988239 0.85 MKNK1 (0.42) MKNK1TP53ALDH1A1
SCHEMBL4989331 0.84 MKNK1 (0.43) MKNK1ALDH1A1
SCHEMBL4985240 0.84 TRPV4 (0.45)
SCHEMBL4986062 0.83 ALDH1A1 (0.52) ALDH1A1GAA
SCHEMBL4983025 0.82 MEN1 (0.53) MKNK1HSD11B1ALDH1A1GAA
SCHEMBL4988082 0.81 KMT2A (0.55) MKNK1ALDH1A1GAA

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 MKNK1 1672/4885TRPC5 249/4885EPHX2 569/4885

“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.