SCHEMBL5065108

SCHEMBL5065108

CCn1c(/C(C#N)=N/O)nc2c(Cl)nc(Br)cc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL5065109 1.00 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL4595462 0.88 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL5069172 0.88 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL691439 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL691440 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL4596427 0.74 RORC (0.32)
SCHEMBL5597279 0.64 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL5597276 0.64 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL5062800 0.64 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL5062797 0.64 ALDH1A1 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-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.