SCHEMBL6879100

SCHEMBL6879100

CC(=O)O[C@@H]1[C@H](Br)[C@@H](COC(C)(C)C)O[C@]1(n1cnc2c(N)ncnc21)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.40
NT5E P21589 3/20 0.39
EGFR P00533 2/20 0.34
P2RX3 P56373 1/20 0.33
P2RX4 Q99571 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
GSK3A P49840 1/20 0.33
RPS6KA3 P51812 1/20 0.33
MAPK14 Q16539 1/20 0.33
AHCY P23526 1/20 0.33
P2RY12 Q9H244 1/20 0.32
TRPM2 O94759 1/20 0.32

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
SCHEMBL7063477 0.81 ADORA1 (0.46) ADORA1NT5EAHCY
SCHEMBL7066965 0.80 ADORA1 (0.43) ADORA1NT5EAHCY
SCHEMBL9218681 0.72 ADORA1 (0.44) ADORA1AHCYTRPM2
SCHEMBL7065334 0.71 P2RY12 (0.35) ADORA1P2RY12
SCHEMBL8972156 0.70 ADORA1 (0.41) ADORA1NT5EEGFRAHCYP2RY12
SCHEMBL7251215 0.70 P2RY12 (0.34) ADORA1P2RY12
SCHEMBL7063493 0.69 P2RY12 (0.34) ADORA1P2RY12
SCHEMBL7251726 0.69 P2RY12 (0.33) ADORA1NT5EP2RY12
SCHEMBL8144937 0.68 TYMP (0.39) ADORA1NT5EEGFRP2RX3P2RX4
SCHEMBL7063505 0.68 HINT1 (0.38) NT5EGSK3ARPS6KA3MAPK14

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-20040126792-A1 Synthesis and applications of trinucleotide pCpCpA-3'-NH-aminoacyl derivatives UNIVERSITY OF MASSACHUSETTS 2004-07-01 US disclosed
WO-2004026266-A2 SYNTHESIS AND APPLICATIONS OF TRINUCLEOTIDE pCpCpA-3′-NH-AMINOACYL DERIVATIVES UNIVERSITY OF MASSACHUSETTS (US) 2004-04-01 WO 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-20040126792-A1 Synthesis and applications of trinucleotide pCpCpA-3'-NH-aminoacyl derivatives RNGTT, NOP2, NPEPPS ADORA1 3491/4885NT5E 811/4885EGFR 2932/4885

“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.