SCHEMBL1352152

SCHEMBL1352152

O=Cc1ccc(-c2nc3cccnc3cc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AKT1 P31749 2/20 0.42
AKT2 P31751 1/20 0.42
TOP1 P11387 5/20 0.41
DHODH Q02127 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
METAP1 P53582 1/20 0.39
PSMB5 P28074 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL28083091 0.87 TOP1 (0.51) MEN1KMT2AAKT1AKT2TOP1
SCHEMBL27653760 0.83 MEN1 (0.65) MEN1KMT2AAKT1AKT2TOP1
SCHEMBL14500979 0.83 AKT1 (0.58) MEN1KMT2AAKT1KDM4EL3MBTL1
SCHEMBL3702970 0.82 MEN1 (0.46) MEN1KMT2AAKT1AKT2TOP1
SCHEMBL1352612 0.81 AKT1 (0.45) AKT1AKT2TOP1DHODHPTGS1
SCHEMBL2280984 0.79 DHODH (0.41) MEN1KMT2AAKT1AKT2DHODH
SCHEMBL1349852 0.78 AKT1 (0.48) MEN1KMT2AAKT1AKT2TOP1
SCHEMBL12410268 0.78 PSMB5 (0.40) MEN1KMT2AAKT1DHODHKDM4E
SCHEMBL14817787 0.78 ADK (0.45) MEN1KMT2AAKT1AKT2KDM4E
SCHEMBL3714535 0.75 TP53 (0.46) MEN1KMT2AAKT1AKT2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391623-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-12-07 EP disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
CN-1942470-A Inhibitors of AKT activity MERCK & CO INC (US) 2007-04-04 CN disclosed
EP-1737861-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100356-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2005-10-27 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 (2 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-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 MEN1 3563/4885KMT2A 860/4885AKT1 1/4885
US-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG MEN1 1098/4885KMT2A 1363/4885AKT1 9/4885

“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.