SCHEMBL6406444

SCHEMBL6406444

COc1cc(OC)cc(C(=O)NC(N/C(=N/C#N)Nc2cccnc2OC)C(C)(Cl)Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.69
KCNJ11 Q14654 3/20 0.55
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6406446 1.00 P2RX7 (0.69) P2RX7KCNJ11KDM4ELMNAHTT
SCHEMBL4679954 0.92 KCNJ11 (0.59) P2RX7KCNJ11
SCHEMBL4679952 0.92 KCNJ11 (0.59) P2RX7KCNJ11
SCHEMBL4680236 0.91 P2RX7 (0.58) P2RX7KCNJ11
SCHEMBL4680233 0.91 P2RX7 (0.58) P2RX7KCNJ11
SCHEMBL4682449 0.90 KCNJ11 (0.69) P2RX7KCNJ11KDM4E
SCHEMBL4682445 0.90 KCNJ11 (0.69) P2RX7KCNJ11KDM4E
SCHEMBL4685949 0.89 KCNJ11 (0.57) P2RX7KCNJ11LMNAHTTSMN1; SMN2
SCHEMBL4685946 0.89 KCNJ11 (0.57) P2RX7KCNJ11LMNAHTTSMN1; SMN2
SCHEMBL6402336 0.82 P2RX7 (0.48) P2RX7KCNJ11LMNA

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-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US claimed
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 P2RX7 2/4885KCNJ11 59/4885KDM4E 3084/4885

“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.