SCHEMBL4993564

SCHEMBL4993564

Nc1ncnc2c1CCN(C(=O)c1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.45
MAPK7 Q13164 9/20 0.44
HRH3 Q9Y5N1 2/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
HSD11B1 P28845 1/20 0.43
GRM5 P41594 1/20 0.43
MGLL Q99685 1/20 0.43
PRLHR P49683 2/20 0.42

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
SCHEMBL4985525 0.88 HSD11B1 (0.47) MAPK7HSD11B1GRM5MGLL
SCHEMBL4989547 0.85 HPGD (0.49) PDE4BPDE4DGRM5
SCHEMBL4989574 0.85 MEN1 (0.48) EPHX2
SCHEMBL4982979 0.84 GRM5 (0.50) GRM5
SCHEMBL4990817 0.82 PKM (0.46) GRM5
SCHEMBL4988057 0.82 P2RX7 (0.45) GRM5MGLL
SCHEMBL4985624 0.81 P2RX7 (0.49) GRM5
SCHEMBL4983032 0.81 ALDH1A1 (0.48) MAPK7
SCHEMBL4987150 0.81 SLC6A7 (0.44) GRM5
SCHEMBL4991178 0.81 P2RX7 (0.49) HSD11B1MGLL

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 1 patent. 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

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 EPHX2 569/4885MAPK7 512/4885HRH3 1013/4885

“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.