Sugi Predict

Sugi Predict / Compounds / SCHEMBL3329927

SCHEMBL3329927

SCHEMBL3329927

Cn1nncc1-c1ccc(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EPHX2 P34913 7/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ PPARG P37231 4/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ TAOK1 Q7L7X3 1/20 0.35
▸ TAOK3 Q9H2K8 1/20 0.35
▸ CTSA P10619 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL3328881 0.86 AKT1 (0.41) EPHX2MAPK1P2RY14PPARGTAOK1
SCHEMBL3332387 0.85 ROCK2 (0.44) MAPK1MMP2MMP9ADAM17HDAC1
SCHEMBL13300001 0.84 EPHX2 (0.38) MEN1KMT2AEPHX2P2RY14PPARG
SCHEMBL14041939 0.83 MEN1 (0.37) MEN1KMT2AEPHX2P2RY14PPARG
SCHEMBL3333030 0.83 MEN1 (0.37) MEN1KMT2AEPHX2P2RY14PPARG
SCHEMBL1530032 0.83 AKT1 (0.41) MEN1KMT2AMAPK1GRM5HPGD
SCHEMBL14114809 0.83 AKT1 (0.41) MEN1KMT2AMAPK1GRM5HPGD
SCHEMBL3329879 0.82 MAPK1 (0.43) MAPK1
SCHEMBL3338310 0.78 AKT1 (0.38) MEN1KMT2AMAPK1GRM5HPGD
SCHEMBL3330574 0.78 AKT1 (0.39) MEN1KMT2AMAPK1GRM5CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 — — US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 — — US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 — — US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 — — US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 — — US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 — — US disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 — — WO 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-20100137338-A1 INHIBITORS OF Akt ACTIVITY PI4KB, AKT3, AKT2 MEN1 3489/4885KMT2A 2217/4885EPHX2 4478/4885

“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.