SCHEMBL6406856

SCHEMBL6406856

COc1ccc(CCCC(=O)NC(NC(=NC#N)Nc2cccnc2C)C(C)(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.72
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6406850 1.00 P2RX7 (0.72) P2RX7ALDH1A1KMT2ARAB9A
SCHEMBL6403636 0.88 P2RX7 (0.71) P2RX7ALDH1A1KMT2A
SCHEMBL6403633 0.88 P2RX7 (0.71) P2RX7ALDH1A1KMT2A
SCHEMBL6403103 0.88 P2RX7 (0.70) P2RX7ALDH1A1KMT2ARAB9A
SCHEMBL6403100 0.88 P2RX7 (0.70) P2RX7ALDH1A1KMT2ARAB9A
SCHEMBL6402380 0.83 P2RX7 (0.51) P2RX7ALDH1A1KMT2A
SCHEMBL6404272 0.83 P2RX7 (0.51) P2RX7ALDH1A1KMT2A
SCHEMBL6401857 0.81 P2RX7 (0.70) P2RX7ALDH1A1
SCHEMBL6401859 0.81 P2RX7 (0.70) P2RX7ALDH1A1
SCHEMBL6405660 0.81 P2RX7 (0.70) P2RX7

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 1730/4885KMT2A 4090/4885

“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.