SCHEMBL6408980

SCHEMBL6408980

CC(C)(C)C(NC(=O)Cc1ccc(C#N)cc1)N/C(=N/C#N)Nc1cccc2ncccc12

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.71
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
CLK1 P49759 1/20 0.44
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6408984 1.00 P2RX7 (0.71) P2RX7ALDH1A1KDM4EMAPTCLK1
SCHEMBL6400149 0.92 P2RX7 (0.71) P2RX7ALDH1A1KDM4EMAPTCLK1
SCHEMBL6400150 0.92 P2RX7 (0.71) P2RX7ALDH1A1KDM4EMAPTCLK1
SCHEMBL6408400 0.90 P2RX7 (0.58) P2RX7ALDH1A1KDM4EMAPTCLK1
SCHEMBL6407170 0.90 P2RX7 (0.72) P2RX7ALDH1A1KDM4EMAPTCLK1
SCHEMBL6407169 0.90 P2RX7 (0.72) P2RX7ALDH1A1KDM4EMAPTCLK1
SCHEMBL6408398 0.90 P2RX7 (0.58) P2RX7ALDH1A1KDM4EMAPTCLK1
SCHEMBL6404367 0.89 P2RX7 (0.57) P2RX7ALDH1A1KDM4EMAPTCLK1
SCHEMBL6404370 0.89 P2RX7 (0.57) P2RX7ALDH1A1KDM4EMAPTCLK1
SCHEMBL6402297 0.89 P2RX7 (0.57) P2RX7ALDH1A1KDM4EMAPTCLK1

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 2/4885ALDH1A1 1730/4885KDM4E 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.