Sugi Predict

Sugi Predict / Compounds / SCHEMBL2287740

SCHEMBL2287740

SCHEMBL2287740

Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CNC(=O)c5ccc(-c6cccnc6)o5)cc4)nc3ccn12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ AKT1 P31749 2/20 0.43
▸ AKT2 P31751 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ DGAT2 Q96PD7 1/20 0.42
▸ HPGD P15428 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ NAMPT P43490 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ AKT3 Q9Y243 1/20 0.38

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
SCHEMBL2282036 0.92 AKT1 (0.44) ALDH1A1KDM4ELMNAAKT1AKT2
SCHEMBL2279809 0.88 AKT1 (0.49) LMNAAKT1AKT2KCNH2HPGD
SCHEMBL2279762 0.85 AKT1 (0.45) LMNAAKT1AKT2KCNH2HPGD
SCHEMBL2277096 0.85 LMNA (0.50) ALDH1A1LMNAAKT1AKT2KCNH2
SCHEMBL2287572 0.84 AKT1 (0.45) ALDH1A1KDM4EAKT1AKT2KCNH2
Hydrochloric Acid SCHEMBL2279148 0.84 LMNA (0.49) ALDH1A1LMNAAKT1AKT2KCNH2
SCHEMBL2279649 0.83 KCNH2 (0.46) ALDH1A1LMNAAKT1AKT2KCNH2
SCHEMBL2278868 0.81 AKT1 (0.48) KDM4ELMNAAKT1AKT2KCNH2
SCHEMBL2281499 0.81 AKT1 (0.46) KDM4ELMNAAKT1AKT2KCNH2
SCHEMBL2279950 0.81 AKT1 (0.46) ALDH1A1LMNAAKT1AKT2KCNH2

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 10 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-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 ALDH1A1 4074/4885KDM4E 1406/4885LMNA 2118/4885

“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.