SCHEMBL3187013

SCHEMBL3187013

O=C(c1cccnc1)N1CCc2c(ncnc2NCC23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.45
EPHX1 P07099 2/20 0.45
HPGD P15428 1/20 0.44
PDGFRB P09619 5/20 0.42
P2RX7 Q99572 2/20 0.42
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
TSHR P16473 2/20 0.40
KDR P35968 5/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL3190538 0.92 HPGD (0.40) EPHX2EPHX1HPGDPDGFRBP2RX7
SCHEMBL13532904 0.92 HPGD (0.40) EPHX2EPHX1HPGDPDGFRBP2RX7
SCHEMBL13532850 0.91 HPGD (0.39) EPHX2EPHX1HPGDPDGFRBP2RX7
SCHEMBL3193417 0.90 P2RX7 (0.43) EPHX2EPHX1P2RX7KDM5AKDM5B
SCHEMBL13532756 0.90 KDM5A (0.43) EPHX2EPHX1P2RX7KDM5AKDM5B
SCHEMBL4986071 0.88 MEN1 (0.51) EPHX2EPHX1HPGDPDGFRBP2RX7
SCHEMBL13532522 0.88 HPGD (0.46) EPHX2HPGDP2RX7KDM5AKDM5B
SCHEMBL13532933 0.86 EPHX2 (0.42) EPHX2EPHX1HPGDPDGFRBP2RX7
SCHEMBL13532471 0.86 P2RX7 (0.49) HPGDP2RX7
SCHEMBL13532561 0.86 GAA (0.42) HPGDP2RX7KDM5AKDM5BTSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022531-A1 NOVEL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-01-28 US disclosed
US-20100022531-A1 NOVEL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-01-28 US disclosed
US-20100022531-A1 NOVEL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-01-28 US disclosed
WO-2007028022-A2 NOVEL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-03-08 WO 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-20100022531-A1 NOVEL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF P2RX3, P2RX7, P2RX1 EPHX2 1740/4885EPHX1 653/4885HPGD 852/4885

“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.