SCHEMBL3595693

SCHEMBL3595693

FC(F)(F)c1cccc(-n2ncnc2C2CCc3ccccc32)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ADRA1A P35348 2/20 0.34
GRM2 Q14416 2/20 0.34
RBP4 P02753 1/20 0.32
CTSD P07339 1/20 0.31
HTT P42858 1/20 0.31
FADS1 O60427 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL3600446 0.71 P2RX7 (0.47) P2RX7ALDH1A1KDM4E
SCHEMBL30787537 0.68 KMT2A (0.39) P2RX7ALDH1A1HTT
SCHEMBL5623430 0.66 ADRA1A (0.39) P2RX7ADRA1ARBP4ADRA2AADRA1D
SCHEMBL3604085 0.64 P2RX7 (0.49) P2RX7
SCHEMBL3593827 0.62 P2RX7 (0.74) P2RX7
SCHEMBL3766143 0.61 RBP4 (0.46) P2RX7GRM2RBP4
SCHEMBL25931898 0.61 P2RX7 (0.38) P2RX7
Sulfuric Acid SCHEMBL214119 0.60 PSEN1 (0.43) RBP4
SCHEMBL27632012 0.58 HTR2A (0.50) ADRA1A
SCHEMBL28457502 0.57 P2RX7 (0.55) P2RX7ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US claimed
EP-1951689-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-08-06 EP claimed
WO-2007056046-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-05-18 WO claimed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 US claimed
US-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 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-20070105842-A1 P2X7 receptor antagonists and methods of use P2RX7, P2RX1, P2RX3 P2RX7 1/4885ALDH1A1 1831/4885KDM4E 2718/4885

“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.