SCHEMBL4986098

SCHEMBL4986098

Nc1ncnc2c1CCN(S(=O)(=O)c1cccnc1)C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.45
CNR2 P34972 2/20 0.45
F2 P00734 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PDE10A Q9Y233 1/20 0.44
HPGD P15428 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRM5 P08912 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CHRM1 P11229 1/20 0.39
HTT P42858 1/20 0.38
MET P08581 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
NAMPT P43490 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
SCHEMBL4988452 0.86 MEN1 (0.51) F12CNR2F2POLB
SCHEMBL4980438 0.85 MMP1 (0.40) CNR2PDE10AHTTNAMPT
SCHEMBL4983025 0.81 MEN1 (0.53) KDM4EHPGDHTTTSHR
SCHEMBL4993378 0.81 KMT2A (0.49) HTT
SCHEMBL4988330 0.81 CD4 (0.50) HTTPOLB
SCHEMBL4985250 0.80 LMNA (0.40) F12HTTTSHRNAMPT
SCHEMBL4986145 0.78 TMEM97 (0.41)
SCHEMBL4991964 0.78 CD4 (0.39) F12
SCHEMBL4986180 0.78 MCOLN3 (0.50) KDM4EHTTTSHR
SCHEMBL4987934 0.78 HSD11B1 (0.45) KDM4E

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 2 patents. 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 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 F12 2899/4885CNR2 42/4885F2 2920/4885

“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.