SCHEMBL4989307

SCHEMBL4989307

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1ccc(Cl)cc1F)CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.40
MKNK1 Q9BUB5 3/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C1 Q04828 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HMOX1 P09601 1/20 0.35
GRM4 Q14833 1/20 0.35
TP53 P04637 1/20 0.35
EPHX2 P34913 1/20 0.34
PKM P14618 2/20 0.34
HSD11B1 P28845 1/20 0.34
RAB9A P51151 1/20 0.34
GRM2 Q14416 2/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4989326 0.93 ALDH1A1 (0.38) ALDH1A1POLBAKR1C3AKR1C1KMT2A
SCHEMBL4989380 0.90 ALDH1A1 (0.39) ALDH1A1MKNK1AKR1C3KMT2AL3MBTL1
SCHEMBL4986058 0.88 USP2 (0.46) ALDH1A1POLBKMT2AL3MBTL1PKM
SCHEMBL4988076 0.87 KMT2A (0.49) ALDH1A1POLBKMT2AL3MBTL1EPHX2
SCHEMBL4991400 0.86 EPHX2 (0.41) ALDH1A1AKR1C3TP53EPHX2HSD11B1
SCHEMBL4986273 0.86 PKM (0.42) POLBAKR1C3KMT2AL3MBTL1TP53
SCHEMBL4992564 0.85 MEN1 (0.47) AKR1C3AKR1C1KMT2AL3MBTL1HMOX1
SCHEMBL4986044 0.83 FAAH (0.39) EPHX2
SCHEMBL4986102 0.82 PKM (0.44) POLBAKR1C3KMT2AL3MBTL1PKM
SCHEMBL4986140 0.82 CNR1 (0.38) AKR1C3AKR1C1TP53GAAMAPT

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 ALDH1A1 3640/4885POLB 3676/4885MKNK1 1672/4885

“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.