SCHEMBL13326537

SCHEMBL13326537

c1cnc(NC2CCNC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 5/20 0.48
▸ MAP4K1 Q92918 1/20 0.44
▸ HRH3 Q9Y5N1 3/20 0.44
▸ HRH4 Q9H3N8 2/20 0.44
▸ HRH2 P25021 1/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ PRKCZ Q05513 1/20 0.41
▸ CDK4 P11802 2/20 0.40
▸ CDK6 Q00534 2/20 0.40
▸ NRAS P01111 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ IRAK1 P51617 1/20 0.39
▸ PRKD1 Q15139 2/20 0.39
▸ PRKD2 Q9BZL6 2/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ CDC42BPB Q9Y5S2 2/20 0.39

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
SCHEMBL13326842 1.00 PRKCI (0.48) PRKCIMAP4K1HRH3HRH4HRH2
SCHEMBL13359844 1.00 PRKCI (0.48) PRKCIMAP4K1HRH3HRH4HRH2
SCHEMBL13326849 1.00 PRKCI (0.48) PRKCIMAP4K1HRH3HRH4HRH2
SCHEMBL15440732 0.90 PRKCZ (0.51) PRKCIIRAK4PRKCZFLT3IRAK1
SCHEMBL13326729 0.90 HRH3 (0.51) PRKCIHRH3MAPK1IRAK4CDK4
SCHEMBL2369918 0.80 HCAR3 (0.42) ROCK2ROCK1
SCHEMBL5847287 0.77 KDM4E (0.46) HRH4
SCHEMBL22877113 0.77 KDM4E (0.50) HRH4
SCHEMBL25422820 0.77 IRAK4 (0.50) PRKCIHRH3HRH4HRH2MAPK1
SCHEMBL22895365 0.77 HRH3 (0.47) MAP4K1HRH3HRH4HRH2IRAK4

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 PRKCI 2376/4885MAP4K1 4180/4885HRH3 130/4885

“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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