SCHEMBL4988786

SCHEMBL4988786

N#Cc1cccc(CN2CCc3c(N)ncnc3C2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 10/20 0.51
LIMK1 P53667 1/20 0.44
P2RX3 P56373 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
ADORA1 P30542 1/20 0.42
PDE2A O00408 1/20 0.41
MAP4K4 O95819 1/20 0.40

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
SCHEMBL4988957 0.86 LIMK1 (0.45) CLPPLIMK1ADORA1MAP4K4
SCHEMBL4993341 0.84 MEN1 (0.51) CLPPLIMK1
SCHEMBL4986172 0.83 SMN1; SMN2 (0.47) CLPPLIMK1PDE2A
SCHEMBL4986127 0.83 LIMK1 (0.47) CLPPLIMK1PDE2A
SCHEMBL4988843 0.83 ALDH1A1 (0.47) CLPPLIMK1
SCHEMBL4982960 0.82 LIMK1 (0.61) LIMK1ADORA1
SCHEMBL4992354 0.81 DPP4 (0.43) CLPPLIMK1ADORA1PDE2A
SCHEMBL4985989 0.80 KDM4E (0.50) CLPPLIMK1ADORA1
SCHEMBL4985030 0.80 SIGMAR1 (0.50) CLPPLIMK1
SCHEMBL4985486 0.79 DRD2 (0.43) LIMK1MAP4K4

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 CLPP 1470/4885LIMK1 1960/4885P2RX3 2/4885

“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.