SCHEMBL4988923

SCHEMBL4988923

Nc1ncnc2c1CCN(Cc1ccc(C(F)(F)F)cc1F)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
C5AR1 P21730 2/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
GRM2 Q14416 7/20 0.39
IDO1 P14902 1/20 0.37
RPS6KB1 P23443 2/20 0.37
DHFR P00374 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
ADORA2A P29274 1/20 0.36
CSF1R P07333 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
SCHEMBL4991112 0.86 KDM4E (0.47) GRM2RPS6KB1
SCHEMBL4988680 0.85 GRM2 (0.44) PDE2AGRM2DHFR
SCHEMBL4983036 0.83 RPS6KB1 (0.49) GRM2RPS6KB1
SCHEMBL4985989 0.81 KDM4E (0.50) GRM2
SCHEMBL4988140 0.78 PDE2A (0.40) PDE2AGRM2RPS6KB1DHFR
SCHEMBL4988449 0.77 DHFR (0.45) GRM2DHFR
SCHEMBL13532702 0.77 CXCR3 (0.38) PDE2AC5AR1JAK2JAK1TYK2
SCHEMBL4985215 0.76 DHFR (0.54) PDE2AGRM2DHFR
SCHEMBL4993153 0.76 FAAH (0.46)
SCHEMBL14272521 0.76 TSHR (0.48) PDE2AC5AR1

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 PDE2A 1483/4885C5AR1 114/4885JAK2 2942/4885

“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.