SCHEMBL13332899

SCHEMBL13332899

Cc1ccc(N=O)cc1-c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 6/20 0.53
▸ GRIK1 P39086 1/20 0.53
▸ GRIA2 P42262 1/20 0.53
▸ GRIA3 P42263 1/20 0.53
▸ GRIA4 P48058 1/20 0.53
▸ CACNG8 Q8WXS5 5/20 0.51
▸ PDE3B Q13370 2/20 0.46
▸ PDE3A Q14432 2/20 0.46
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ DYRK1A Q13627 4/20 0.39
▸ PDPK1 O15530 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL18190765 0.81 GRIA1 (0.57) GRIA1GRIK1GRIA2GRIA3GRIA4
SCHEMBL18190720 0.79 GRIA1 (0.55) GRIA1GRIK1GRIA2GRIA3GRIA4
SCHEMBL12322303 0.79 GRIA1 (0.58) GRIA1GRIK1GRIA2GRIA3GRIA4
SCHEMBL10139187 0.79 PTK6 (0.49) GRIA1CACNG8PDE3BPDE3AKMT2A
SCHEMBL18190461 0.76 GRIA1 (0.68) GRIA1GRIK1GRIA2GRIA3GRIA4
SCHEMBL21900280 0.75 GRIA1 (0.84) GRIA1GRIK1GRIA2GRIA3GRIA4
SCHEMBL18190759 0.75 GRIA1 (0.50) GRIA1GRIK1GRIA2GRIA3GRIA4
SCHEMBL26463261 0.75 PDE3B (0.59) GRIA1GRIK1GRIA2GRIA3GRIA4
SCHEMBL13306916 0.74 GRIA1 (0.53) GRIA1GRIK1GRIA2GRIA3GRIA4
SCHEMBL18190480 0.72 GRIA1 (0.62) GRIA1GRIK1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 — — 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-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 GRIA1 2618/4885GRIK1 1764/4885GRIA2 2949/4885

“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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