SCHEMBL4991981

SCHEMBL4991981

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1ccccc1-c1ccccc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
FABP1 P07148 5/20 0.40
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5AP P20292 10/20 0.37
FEN1 P39748 10/20 0.37
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 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
SCHEMBL4988076 0.85 KMT2A (0.49) ALDH1A1TDP1CHRNB2CHRNB4CHRNA3
SCHEMBL4986044 0.85 FAAH (0.39)
SCHEMBL4985355 0.85 EPHX2 (0.37) ALDH1A1TDP1
SCHEMBL4988448 0.85 MEN1 (0.45) ALDH1A1
SCHEMBL4992135 0.83 ATM (0.41) ALDH1A1TDP1
SCHEMBL4988090 0.81 CHRM1 (0.42) HCRTR1HCRTR2ALDH1A1TDP1FGFR4
SCHEMBL4988956 0.80 L3MBTL1 (0.48) FABP1ALDH1A1
SCHEMBL4987105 0.79 GRM2 (0.37) ALDH1A1
SCHEMBL4986058 0.79 USP2 (0.46) ALDH1A1TDP1
SCHEMBL4986273 0.79 PKM (0.42)

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 HCRTR1 321/4885HCRTR2 334/4885FABP1 877/4885

“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.