SCHEMBL235380

SCHEMBL235380

COc1ccccc1NC(=O)C1CCN(Cc2ccc(-c3nc4c(cnc5cc(C)nn54)cc3-c3ccccc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.52
AKT2 P31751 5/20 0.52
ACHE P22303 3/20 0.45
GALR3 O60755 1/20 0.45
RAB9A P51151 1/20 0.45
WNT1 P04628 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CHRM4 P08173 1/20 0.42
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ACKR3 P25106 1/20 0.41

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
SCHEMBL234373 0.93 AKT1 (0.48) AKT1AKT2ACHEGALR3RAB9A
SCHEMBL16986909 0.92 AKT1 (0.44) AKT1AKT2CHRM4
SCHEMBL237427 0.91 AKT1 (0.53) AKT1AKT2WNT1GSK3BDYRK1A
SCHEMBL237514 0.90 AKT1 (0.52) AKT1AKT2ACHEGALR3RAB9A
SCHEMBL237127 0.90 AKT1 (0.61) AKT1AKT2WNT1GSK3BDYRK1A
SCHEMBL236182 0.90 AKT1 (0.53) AKT1AKT2ACHEGALR3RAB9A
SCHEMBL237686 0.89 AKT1 (0.51) AKT1AKT2ACHERAB9ABACE1
SCHEMBL236766 0.88 AKT1 (0.53) AKT1AKT2WNT1GSK3BDYRK1A
SCHEMBL236292 0.88 AKT1 (0.53) AKT1AKT2KDM4ECHRM4ALDH1A1
SCHEMBL235907 0.88 AKT1 (0.59) AKT1AKT2WNT1GSK3BDYRK1A

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-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US claimed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 AKT1 13/4885AKT2 4/4885ACHE 3928/4885

“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.