SCHEMBL5261709

SCHEMBL5261709

O=C(O)c1ccc(-c2nc3ncccc3cc2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.49
MAP4K4 O95819 1/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
CAMKK2 Q96RR4 1/20 0.45
AKT1 P31749 4/20 0.45
AKT2 P31751 4/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL361776 0.87 AKT1 (0.49) DHODHAKT1AKT2NPC1MEN1
SCHEMBL14500994 0.82 AKT1 (0.53) DHODHAKT1AKT2MKNK1MKNK2
SCHEMBL1352612 0.81 AKT1 (0.45) DHODHAKT1AKT2ALDH1A1
SCHEMBL3781331 0.80 SUCNR1 (0.51) DHODHAKT1AKT2
SCHEMBL17942663 0.79 DHODH (0.51) DHODHKDM4ENPC1ALDH1A1GAA
SCHEMBL1350735 0.78 AKT1 (0.52) AKT1AKT2
SCHEMBL14422898 0.78 PTGS1 (0.59) MAP4K4CAMKK2KDM4ENPC1ALDH1A1
Hydrochloric Acid SCHEMBL1350035 0.77 AKT1 (0.51) AKT1AKT2
SCHEMBL1350569 0.77 AKT1 (0.44) DHODHAKT1AKT2ALDH1A1MEN1
SCHEMBL1350052 0.74 AKT1 (0.48) DHODHAKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 US disclosed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 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-20050222155-A1 Inhibitors of akt activity AKT1, AKT2, AKT3 DHODH 1466/4885MAP4K4 154/4885PDE4A 1842/4885

“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.