SCHEMBL4989348

SCHEMBL4989348

Nc1ncnc2c1CCN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.42
KDM2B Q8NHM5 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 1/20 0.41
SCN9A Q15858 1/20 0.40
DGAT1 O75907 2/20 0.39
DHFR P00374 1/20 0.38
KIT P10721 2/20 0.38
SLC40A1 Q9NP59 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
FGFR4 P22455 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP21A2 P08686 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP7A1 P22680 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36

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
SCHEMBL4985230 0.89 MEN1 (0.43) AKR1C3SCN9AMEN1KMT2A
SCHEMBL4988177 0.86 MKNK1 (0.47) AKR1C3CYP11B1MKNK1
SCHEMBL4987060 0.84 HTT (0.48) AKR1C3SCN9A
SCHEMBL4985143 0.81 AKR1C3 (0.40) AKR1C3MEN1KMT2AMKNK1
SCHEMBL4988452 0.80 MEN1 (0.51) AKR1C3CYP3A4MEN1KMT2A
SCHEMBL5142775 0.80 KDM2B (0.43) AKR1C3KDM2BCYP11B1CYP11B2SCN9A
SCHEMBL4988098 0.79 LIPE (0.42) AKR1C3KDM2BSCN9ADGAT1SLC40A1
SCHEMBL4986180 0.78 MCOLN3 (0.50) MEN1KMT2A
SCHEMBL4987934 0.78 HSD11B1 (0.45) SCN9AABL1BCRMEN1KMT2A
SCHEMBL4982847 0.78 LMNA (0.41) KDM2BMEN1KMT2AMKNK1

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 AKR1C3 1419/4885KDM2B 4316/4885CYP11B1 463/4885

“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.