Sugi Predict

Sugi Predict / Compounds / SCHEMBL2279425

SCHEMBL2279425

SCHEMBL2279425

Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C=O)cc4)nc3ccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 11/20 0.47
▸ AKT2 P31751 10/20 0.47
▸ KCNH2 Q12809 4/20 0.47
▸ AKT3 Q9Y243 2/20 0.46
▸ FECH P22830 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HPGD P15428 1/20 0.36
▸ PSMB5 P28074 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL2283739 0.87 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2283764 0.85 AKT1 (0.44) AKT1AKT2KCNH2AKT3FECH
SCHEMBL14817779 0.85 AKT1 (0.42) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2285870 0.84 AKT1 (0.41) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2279848 0.83 AKT1 (0.54) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2283320 0.83 AKT1 (0.53) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2286077 0.82 AKT1 (0.62) AKT1AKT2KCNH2AKT3FECH
Hydrochloric Acid SCHEMBL3504287 0.82 AKT1 (0.53) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281325 0.82 AKT1 (0.50) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2279767 0.82 AKT1 (0.47) AKT1AKT2KCNH2AKT3FECH

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 9 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 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
EP-1898903-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2008-03-19 — — EP disclosed
WO-2006135627-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-12-21 — — 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-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.