SCHEMBL4991964

SCHEMBL4991964

Cc1cc(C)cc(S(=O)(=O)N2CCc3c(N)ncnc3C2)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD4 P01730 10/20 0.39
MKNK1 Q9BUB5 4/20 0.38
AKR1C3 P42330 2/20 0.36
CNR1 P21554 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F12 P00748 1/20 0.34

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
SCHEMBL4988330 0.88 CD4 (0.50) CD4
SCHEMBL4986145 0.85 TMEM97 (0.41) MKNK1AKR1C3CNR1MEN1KMT2A
SCHEMBL4988452 0.83 MEN1 (0.51) AKR1C3MEN1KMT2AF12
SCHEMBL4988645 0.82 MAPT (0.42) MKNK1AKR1C3MEN1KMT2A
SCHEMBL4993378 0.80 KMT2A (0.49) MKNK1MEN1KMT2A
SCHEMBL4983025 0.80 MEN1 (0.53) MKNK1MEN1KMT2A
SCHEMBL4982872 0.80 NPC1 (0.39) F12
SCHEMBL4986180 0.80 MCOLN3 (0.50) MEN1KMT2A
SCHEMBL4987016 0.80 PKM (0.51) MKNK1
SCHEMBL4992079 0.79 CYP3A4 (0.58) AKR1C3

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 CD4 2222/4885MKNK1 1672/4885AKR1C3 1419/4885

“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.