SCHEMBL4754259

SCHEMBL4754259

N#Cc1cnn(-c2cccc(Cl)c2Cl)c1NCc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.62
PGK1 P00558 1/20 0.46
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
MAP3K8 P41279 2/20 0.42
MAPK13 O15264 1/20 0.42
EIF2AK2 P19525 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
THRB P10828 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL4756363 0.89 P2RX7 (0.57) P2RX7MAPK14HPGD
SCHEMBL4753429 0.81 P2RX7 (0.63) P2RX7
SCHEMBL3590729 0.77 P2RX7 (1.00) P2RX7
SCHEMBL4698607 0.75 P2RX7 (0.57) P2RX7DRD2DRD4DRD3ALDH1A1
SCHEMBL3293536 0.73 P2RX7 (0.76) P2RX7
SCHEMBL10848645 0.72 P2RX7 (0.45) P2RX7DRD2DRD4DRD3ALDH1A1
SCHEMBL10616320 0.72 PTGS1 (0.52) P2RX7DRD2DRD4DRD3HPGD
SCHEMBL11094559 0.72 PTGS1 (0.45) P2RX7DRD2DRD4DRD3HPGD
SCHEMBL10850615 0.71 P2RX7 (0.36) P2RX7DRD2DRD4DRD3HPGD
SCHEMBL10848871 0.70 PGK1 (0.38) P2RX7PGK1HPGDALDH1A1NPSR1

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
EP-1963275-A2 P2X7 RECEPTOR ANTAGONISTS AND USES THEREOF Abbott Laboratories (US) 2008-09-03 EP claimed
US-20070259920-A1 P2X7, receptor antagonists and uses thereof ABBOTT LABORATORIES 2007-11-08 US claimed
WO-2007056091-A2 2-PHENYL-2H-PYRAZ0LE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-05-18 WO claimed
US-20070259920-A1 P2X7, receptor antagonists and uses thereof ABBOTT LABORATORIES 2007-11-08 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-20070259920-A1 P2X7, receptor antagonists and uses thereof P2RX7, P2RX1, P2RX3 P2RX7 1/4885PGK1 2514/4885DRD2 950/4885

“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.