SCHEMBL2030949

SCHEMBL2030949

CC(C)(C)N(C(=O)O)C1(c2ccc(-c3nc4ccc5nnc(-c6cnccn6)n5c4nc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
AKT1 P31749 16/20 0.33
AKT2 P31751 12/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL2027013 0.88 AKT1 (0.35) AKT1AKT2
SCHEMBL2029992 0.88 AKT1 (0.35) AKT1AKT2
SCHEMBL2034120 0.83 AKT1 (0.41) HSD11B1CYP3A4CYP2D6CYP2C9AKT1
SCHEMBL12583548 0.82 AKT1 (0.47) HSD11B1AKT1AKT2
SCHEMBL2027037 0.82 AKT1 (0.49) AKT1AKT2
Hydrochloric Acid SCHEMBL2028795 0.81 AKT1 (0.48) CYP3A4CYP2D6CYP2C9AKT1AKT2
SCHEMBL1674617 0.74 AKT1 (0.53) AKT1AKT2
SCHEMBL1674616 0.74 AKT1 (0.53) AKT1AKT2
SCHEMBL2028778 0.72 KDM4E (0.39)
SCHEMBL1674685 0.72 AKT1 (0.42) AKT1AKT2

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-20110160183-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2011-06-30 US disclosed
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-7576209-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-20080161317-A1 Inhibitors of Akt activity MERCK SHARP & DOHME LLC 2008-07-03 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 (3 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-20080161317-A1 Inhibitors of Akt activity PIK3CD, PIK3CA, PIK3CG HSD11B1 2742/4885CYP3A4 3185/4885CYP2D6 3357/4885
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG HSD11B1 2742/4885CYP3A4 3185/4885CYP2D6 3357/4885
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG HSD11B1 2742/4885CYP3A4 3185/4885CYP2D6 3357/4885

“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.