SCHEMBL4989331

SCHEMBL4989331

Nc1ncnc2c1CCN(S(=O)(=O)c1cc(Cl)ccc1F)C2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 9/20 0.43
HMOX1 P09601 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SCN9A Q15858 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
F10 P00742 2/20 0.38
POLB P06746 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
SCHEMBL4989313 0.92 MKNK1 (0.51) MKNK1HMOX1L3MBTL1KMT2AALDH1A1
SCHEMBL4986276 0.91 POLB (0.47) MKNK1L3MBTL1KMT2APKMPOLB
SCHEMBL4986062 0.90 ALDH1A1 (0.52) L3MBTL1KMT2APKMALDH1A1ALOX15
SCHEMBL4988082 0.87 KMT2A (0.55) MKNK1L3MBTL1KMT2APKMALDH1A1
SCHEMBL4992568 0.84 MEN1 (0.46) MKNK1HMOX1L3MBTL1KMT2APKM
SCHEMBL4991405 0.84 MKNK1 (0.45) MKNK1ALDH1A1
SCHEMBL4989386 0.84 MKNK1 (0.52) MKNK1L3MBTL1KMT2APKMALDH1A1
SCHEMBL4993378 0.83 KMT2A (0.49) MKNK1L3MBTL1KMT2APKM
SCHEMBL4986052 0.82 CHRM4 (0.43) MKNK1L3MBTL1KMT2ATSHR
SCHEMBL4986106 0.81 PKM (0.50) MKNK1L3MBTL1KMT2APKM

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 1672/4885HMOX1 439/4885L3MBTL1 4476/4885

“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.