Sugi Predict

Sugi Predict / Compounds / SCHEMBL2284492

SCHEMBL2284492

SCHEMBL2284492

Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNCC(O)CO)cc4)nc3ccn12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 9/20 0.47
▸ AKT2 P31751 9/20 0.47
▸ KCNH2 Q12809 3/20 0.47
▸ DNM1 Q05193 5/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ AKT3 Q9Y243 2/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ FECH P22830 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL2281151 0.90 AKT1 (0.47) AKT1AKT2KCNH2ALDH1A1CYP1A2
SCHEMBL2284105 0.84 AKT1 (0.47) AKT1AKT2KCNH2CYP2D6AKT3
SCHEMBL2279848 0.84 AKT1 (0.54) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2284363 0.83 AKT1 (0.47) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281529 0.83 AKT1 (0.48) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2278868 0.82 AKT1 (0.48) AKT1AKT2KCNH2CYP2D6AKT3
SCHEMBL2283320 0.81 AKT1 (0.53) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2279461 0.81 AKT1 (0.48) AKT1AKT2KCNH2ALDH1A1CYP1A2
SCHEMBL2287763 0.80 AKT1 (0.47) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2279249 0.80 ALDH1A1 (0.47) AKT1AKT2KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 — — EP claimed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 — — US claimed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 — — US claimed
EP-1898903-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2008-03-19 — — EP claimed
WO-2006135627-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-12-21 — — WO claimed
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 — — EP disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 — — US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 — — US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 — — US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 — — US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 — — US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 — — 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-20100222321-A1 Inhibitors of akt activtiy PIK3CA, PIK3CD, INPP5D AKT1 8/4885AKT2 4/4885KCNH2 3672/4885

“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.