SCHEMBL1351636

SCHEMBL1351636

NCc1ccc(-c2nc3cc(-c4nn[nH]n4)ccc3nc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 2/20 0.52
AKT1 P31749 2/20 0.52
AKT2 P31751 2/20 0.52
AKT3 Q9Y243 2/20 0.52
PDE7A Q13946 3/20 0.47
PDE7B Q9NP56 3/20 0.47
IDO1 P14902 1/20 0.45
NAMPT P43490 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TP53 P04637 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
DPP4 P27487 1/20 0.42
PFKFB3 Q16875 1/20 0.42
HPGDS O60760 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42

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
SCHEMBL1351781 1.00 GP6 (0.52) GP6AKT1AKT2AKT3PDE7A
SCHEMBL13934981 0.77 TP53 (0.68) GP6ALDH1A1ATMTP53
SCHEMBL14119243 0.77 TAAR1 (0.63) AKT1AKT2NAMPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL4456306 0.75 TP53 (0.66) GP6ALDH1A1ATMTP53
SCHEMBL12133592 0.73 NAMPT (0.52) NAMPTALDH1A1KMT2AATMTLR9
SCHEMBL12133593 0.73 NAMPT (0.52) NAMPTALDH1A1KMT2AATMTLR9
SCHEMBL1349906 0.73 TAAR1 (0.53) AKT1AKT2NAMPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1353133 0.72 TAAR1 (0.52) AKT1AKT2NAMPTALDH1A1KMT2A
SCHEMBL25378122 0.70 GP6 (1.00) GP6PDE7APDE7BIDO1ALDH1A1
SCHEMBL1301829 0.70 ALDH1A1 (0.68) AKT1AKT2ALDH1A1KMT2AATM

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 6 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 claimed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US claimed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO claimed
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
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 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-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG GP6 3969/4885AKT1 9/4885AKT2 5/4885

“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.