SCHEMBL13326564

SCHEMBL13326564

c1nsc(NC2CCNC2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.37
▸ BPTF Q12830 2/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ ATAD2 Q6PL18 2/20 0.36
▸ PRKCI P41743 4/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ SCN9A Q15858 3/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ IDH2 P48735 1/20 0.33

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
SCHEMBL1696851 0.90 HRH3 (0.41) HRH3RPS6KB1BRD4ATAD2SCN9A
SCHEMBL974801 0.75 CHRM2 (0.44) HRH4HRH3HRH2BRD4ATAD2
SCHEMBL13326604 0.75 CHRM2 (0.44) HRH4HRH3HRH2BRD4ATAD2
SCHEMBL13326607 0.75 CHRM2 (0.44) HRH4HRH3HRH2BRD4ATAD2
SCHEMBL13326586 0.71 CDK2 (0.44) HRH4HRH3HRH2BPTFBRD4
SCHEMBL13326560 0.70 CYP1A2 (0.39) HRH4HRH3HRH2BPTFPRKCI
SCHEMBL17961788 0.68 KDM4E (0.55) HRH4HRH3HRH2RPS6KB1BPTF
SCHEMBL17961784 0.68 KDM4E (0.55) HRH4HRH3HRH2RPS6KB1BPTF
SCHEMBL17961781 0.68 KDM4E (0.55) HRH4HRH3HRH2RPS6KB1BPTF
SCHEMBL20576715 0.68 HRH3 (0.66) HRH4HRH3HRH2RPS6KB1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 — — US disclosed
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 — — US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 — — US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 — — 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-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS CBR3, CBR1, TECR HRH4 103/4885HRH3 130/4885HRH2 61/4885

“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.

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