SCHEMBL13306916

SCHEMBL13306916

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 4/20 0.53
▸ GRIA2 P42262 2/20 0.53
▸ GRIA3 P42263 2/20 0.53
▸ GRIA4 P48058 2/20 0.53
▸ CA12 O43570 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CACNG8 Q8WXS5 2/20 0.49
▸ GRIK1 P39086 1/20 0.48
▸ BCL6 P41182 3/20 0.47
▸ BCOR Q6W2J9 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL30022127 0.80 GRIA1 (0.79) GRIA1GRIA2GRIA3GRIA4CA12
SCHEMBL1842652 0.80 GRIA1 (0.79) GRIA1GRIA2GRIA3GRIA4CA12
SCHEMBL18190765 0.79 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL1901655 0.77 TDP1 (0.45) MAPTLMNAMEN1KMT2ACYP19A1
SCHEMBL6541078 0.77 PGR (0.63) GRIA1GRIA2GRIA3GRIA4CA12
SCHEMBL18190720 0.77 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL12322303 0.77 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL13332899 0.74 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL18190461 0.74 GRIA1 (0.68) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL21900280 0.73 GRIA1 (0.84) GRIA1GRIA2GRIA3GRIA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
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 2618/4885GRIA2 2949/4885GRIA3 3027/4885

“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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