SCHEMBL4989574

SCHEMBL4989574

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 7/20 0.47
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
P2RX7 Q99572 8/20 0.44
SLC6A7 Q99884 1/20 0.44
EPHX2 P34913 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
SCHEMBL4983032 0.88 ALDH1A1 (0.48) MEN1HPGDKMT2A
SCHEMBL4982979 0.87 GRM5 (0.50) KCNH2P2RX7
SCHEMBL4984930 0.87 P2RX7 (0.56) HPGDP2RX7
SCHEMBL4993564 0.85 EPHX2 (0.45) EPHX2
SCHEMBL4991240 0.84 P2RX7 (0.41) KCNH2P2RX7
SCHEMBL4988057 0.84 P2RX7 (0.45) HPGDP2RX7
SCHEMBL4990817 0.84 PKM (0.46) MEN1HPGDKMT2AP2RX7SLC6A7
SCHEMBL4985624 0.84 P2RX7 (0.49) HPGDKCNH2P2RX7
SCHEMBL4988640 0.84 P2RX7 (0.45) P2RX7EPHX2
SCHEMBL4993433 0.83 P2RX7 (0.48) KMT2AP2RX7

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 MEN1 4853/4885HPGD 368/4885TSHR 3850/4885

“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.