SCHEMBL4989313

SCHEMBL4989313

Nc1ncnc2c1CCN(S(=O)(=O)c1ccc(Cl)cc1F)C2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 13/20 0.51
ALDH1A1 P00352 1/20 0.46
HMOX1 P09601 1/20 0.41
EIF2AK3 Q9NZJ5 1/20 0.40
SCN9A Q15858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL4989331 0.92 MKNK1 (0.43) MKNK1ALDH1A1HMOX1SCN9AKMT2A
SCHEMBL4989386 0.90 MKNK1 (0.52) MKNK1ALDH1A1KMT2AL3MBTL1
SCHEMBL4986062 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AL3MBTL1
SCHEMBL4988082 0.86 KMT2A (0.55) MKNK1ALDH1A1KMT2AL3MBTL1
SCHEMBL4991405 0.86 MKNK1 (0.45) MKNK1ALDH1A1HSD11B1
SCHEMBL4986276 0.85 POLB (0.47) MKNK1KMT2AL3MBTL1POLB
SCHEMBL4992568 0.83 MEN1 (0.46) MKNK1ALDH1A1HMOX1KMT2AL3MBTL1
SCHEMBL4993378 0.82 KMT2A (0.49) MKNK1KMT2AL3MBTL1HSD11B1
SCHEMBL4986052 0.81 CHRM4 (0.43) MKNK1KMT2AL3MBTL1HSD11B1
SCHEMBL4986145 0.80 TMEM97 (0.41) MKNK1ALDH1A1KMT2A

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 1672/4885ALDH1A1 3640/4885HMOX1 439/4885

“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.