SCHEMBL5062797

SCHEMBL5062797

N#C/C(=N\O)c1nc2c(Cl)nccc2n1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
RPS6KA5 O75582 1/20 0.33
BCL6 P41182 4/20 0.32
CNR2 P34972 1/20 0.30

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
SCHEMBL5062800 1.00 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
Nitrous Acid SCHEMBL4243378 0.94 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL4243375 0.86 CTSL (0.31) CTSLCTSSCTSKBCL6
SCHEMBL5597276 0.79 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL5597279 0.79 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL4249002 0.65 RPS6KA5 (0.72) ALDH1A1RPS6KA5
SCHEMBL691439 0.64 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL691440 0.64 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL5065108 0.64 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL5065109 0.64 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1

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-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ALDH1A1 4166/4885SMN1; SMN2 3299/4885POLB 1321/4885

“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.