SCHEMBL4984728

SCHEMBL4984728

N#Cc1ccc(C(=O)N2CCc3c(N)ncnc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
SLC6A7 Q99884 1/20 0.44
ALDH1A1 P00352 1/20 0.41
MAPK7 Q13164 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
PDE2A O00408 1/20 0.39
PDE3A Q14432 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
P2RX7 Q99572 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL4988685 0.87 GRM5 (0.52) GRM5SLC6A7PDE2AP2RX7PRLHR
SCHEMBL4990817 0.84 PKM (0.46) GRM5SLC6A7ALDH1A1MAPTP2RX7
SCHEMBL4982979 0.84 GRM5 (0.50) GRM5L3MBTL1P2RX7
SCHEMBL4988057 0.84 P2RX7 (0.45) GRM5ALDH1A1P2RX7
SCHEMBL4985624 0.84 P2RX7 (0.49) GRM5ALDH1A1P2RX7
SCHEMBL4983032 0.81 ALDH1A1 (0.48) ALDH1A1MAPK7MAPT
SCHEMBL4989574 0.81 MEN1 (0.48) SLC6A7P2RX7EPHX2
SCHEMBL4989547 0.81 HPGD (0.49) GRM5SLC6A7ALDH1A1L3MBTL1
SCHEMBL4987150 0.81 SLC6A7 (0.44) GRM5SLC6A7CYP2D6P2RX7
SCHEMBL4986041 0.79 HPGD (0.49) P2RX7

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 GRM5 231/4885SLC6A7 2248/4885ALDH1A1 3640/4885

“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.