Sugi Predict

Sugi Predict / Compounds / SCHEMBL2283586

SCHEMBL2283586

SCHEMBL2283586

C[C@@H](N)c1ccc(-c2nc3ccn4c(-c5cn6ccsc6n5)nnc4c3cc2-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.38
▸ LMNA P02545 3/20 0.38
▸ AKT1 P31749 8/20 0.37
▸ AKT2 P31751 8/20 0.37
▸ AKT3 Q9Y243 2/20 0.37
▸ FECH P22830 1/20 0.37
▸ KCNH2 Q12809 3/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ NFKB1 P19838 3/20 0.34
▸ NFKB2 Q00653 3/20 0.34
▸ RELA Q04206 3/20 0.34
▸ HPGD P15428 2/20 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
SCHEMBL2283426 0.87 AKT1 (0.42) TP53LMNAAKT1AKT2AKT3
SCHEMBL2031805 0.83 AKT1 (0.58) AKT1AKT2AKT3FECH
SCHEMBL2280976 0.82 AKT1 (0.42) AKT1AKT2AKT3FECHKCNH2
SCHEMBL2279767 0.80 AKT1 (0.47) AKT1AKT2AKT3FECHKCNH2
SCHEMBL2283207 0.80 AKT1 (0.44) AKT1AKT2AKT3FECHKCNH2
Hydrochloric Acid SCHEMBL2285889 0.80 AKT1 (0.46) AKT1AKT2AKT3FECHKCNH2
SCHEMBL2284709 0.76 AKT1 (0.42) AKT1AKT2AKT3FECHKCNH2
SCHEMBL2283706 0.76 AKT1 (0.48) AKT1AKT2AKT3FECHKCNH2
SCHEMBL2286791 0.75 AKT1 (0.40) AKT1AKT2AKT3FECHKCNH2
Hydrochloric Acid SCHEMBL3504692 0.75 AKT1 (0.48) AKT1AKT2AKT3FECHKCNH2

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 TP53 416/4885LMNA 2118/4885AKT1 8/4885

“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.