SCHEMBL5145755

SCHEMBL5145755

CC12CC3CC(C)(C1)CC(CC(=O)Nc1ncnc4c1CCN(C(=O)c1cc(F)ccc1F)C4)(C3)C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.38
MAPK14 Q16539 1/20 0.35
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
GRM5 P41594 2/20 0.32
SCN9A Q15858 1/20 0.32
PARP1 P09874 1/20 0.32
EPHX2 P34913 1/20 0.32
PDE2A O00408 1/20 0.32
AXL P30530 2/20 0.32
MERTK Q12866 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14272268 0.94 P2RX7 (0.40) P2RX7MAPK14GRM5SCN9A
SCHEMBL14272263 0.91 P2RX7 (0.37) P2RX7GRM5EPHX2
SCHEMBL14272270 0.90 EPHX2 (0.39) P2RX7GRM5EPHX2
SCHEMBL4990861 0.89 P2RX7 (0.41) P2RX7MAPK14EPHX2ALDH1A1
SCHEMBL4989551 0.87 GRM5 (0.36) P2RX7MAPK14GRM5EPHX2ALDH1A1
SCHEMBL14272266 0.85 P2RX7 (0.39) P2RX7ALDH1A1
SCHEMBL14300854 0.85 P2RX7 (0.35) P2RX7MAPK14EPHA2KDREPHB4
SCHEMBL14272262 0.85 P2RX7 (0.44) P2RX7ALDH1A1
SCHEMBL5142881 0.84 P2RX7 (0.38) P2RX7MAPK14
SCHEMBL5142363 0.83 P2RX7 (0.52) 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-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed

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 P2RX7 1/4885MAPK14 655/4885EPHA2 735/4885

“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.