SCHEMBL4986936

SCHEMBL4986936

CC(=O)N1CCC(C(=O)N2CCc3c(N)ncnc3C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.42
PIK3CA P42336 3/20 0.42
DGAT1 O75907 1/20 0.39
MAP4K4 O95819 2/20 0.39
BMPR1A P36894 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
F12 P00748 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
RIPK1 Q13546 2/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
LIMK1 P53667 1/20 0.36
P2RX7 Q99572 1/20 0.36
CHRM4 P08173 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL4982842 0.90 MAP4K4 (0.40) PIK3CDPIK3CADGAT1MAP4K4LIMK1
SCHEMBL4988444 0.88 KEAP1 (0.46) DGAT1MAP4K4LIMK1P2RX7
SCHEMBL4985611 0.86 KEAP1 (0.48) DGAT1MAP4K4LIMK1P2RX7
SCHEMBL4990995 0.86 MAP4K4 (0.41) MAP4K4F12P2RX7
SCHEMBL14272347 0.76 TSHR (0.55) PIK3CDPIK3CA
SCHEMBL13532548 0.75 PIK3CD (0.39) PIK3CDPIK3CAJAK2JAK1
SCHEMBL4988247 0.75 RIPK1 (0.40) RIPK1P2RX7
SCHEMBL4984698 0.75 F12 (0.42) PIK3CDPIK3CAF12P2RX7
SCHEMBL4983767 0.74 EPHX1 (0.46) PIK3CDPIK3CAP2RX7
SCHEMBL13533083 0.72 PIK3CD (0.36) PIK3CDPIK3CAJAK2JAK1

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 PIK3CD 809/4885PIK3CA 584/4885DGAT1 3962/4885

“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.