SCHEMBL1349923

SCHEMBL1349923

COc1nccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.40
SQOR Q9Y6N5 1/20 0.39
ADORA1 P30542 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ADORA2A P29274 1/20 0.39
DHODH Q02127 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADK P55263 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
TLR8 Q9NR97 1/20 0.37
CNR1 P21554 2/20 0.36
ACACA Q13085 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSMB5 P28074 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL12133243 0.88 TLR8 (0.40) SGK1TAAR1KDM4ELMNAALDH1A1
SCHEMBL1351057 0.87 MEN1 (0.44) SGK1ADORA1TAAR1ADORA2AL3MBTL1
SCHEMBL12133242 0.86 SOAT1 (0.48) SGK1TLR8
SCHEMBL1351355 0.86 CSNK2A1 (0.37) SQORALDH1A1LOXL2CNR1
SCHEMBL1351666 0.85 TAAR1 (0.45) SGK1ADORA1TAAR1ADORA2AADK
SCHEMBL1351919 0.85 TAAR1 (0.45) SGK1ADORA1TAAR1ADORA2AADK
SCHEMBL1351325 0.85 TAAR1 (0.45) SGK1ADORA1TAAR1ADORA2AKDM4E
SCHEMBL1351607 0.84 KDM4E (0.49) ADORA1ADORA2AL3MBTL1KDM4ELMNA
SCHEMBL12132970 0.84 PRNP (0.49) SQORDHODHL3MBTL1KDM4ELMNA
SCHEMBL12134878 0.84 KDM4E (0.40) SQORADORA1DHODHL3MBTL1KDM4E

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 9 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
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

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 SGK1 277/4885SQOR 3114/4885ADORA1 2806/4885

“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.