SCHEMBL2899086

SCHEMBL2899086

CCSc1ncc2cc(-c3ccccc3)c(Cl)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.42
AKT1 P31749 9/20 0.40
AKT2 P31751 9/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
ATM Q13315 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HASPIN Q8TF76 1/20 0.38

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
SCHEMBL1351674 0.86 CYP1A2 (0.43) ALDH1A1AKT1AKT2MAPTNPC1
SCHEMBL2893422 0.85 AKT1 (0.48) AKT1AKT2KMT2AMEN1
SCHEMBL1351256 0.78 AKT1 (0.53) AKT1AKT2
SCHEMBL12133782 0.77 MAPT (0.40) KDM4EALDH1A1MAPTLMNAHTT
Hydrochloric Acid SCHEMBL1350128 0.77 AKT1 (0.52) AKT1AKT2
SCHEMBL2897744 0.77 AKT1 (0.50) KDM4EMAPK1AKT1AKT2
SCHEMBL13800033 0.75 FGFR1 (0.38) ALDH1A1NPC1ADORA2AADORA1KMT2A
SCHEMBL13233225 0.71 FGFR1 (0.35) ALDH1A1ADORA2AADORA1
SCHEMBL2890611 0.71 NPSR1 (0.43) KDM4EMAPK1ALDH1A1AKT1AKT2
SCHEMBL25272744 0.70 AURKA (0.46) KDM4EAKT1AKT2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 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
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 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 (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 KDM4E 1498/4885MAPK1 272/4885ALDH1A1 3486/4885
US-20070254901-A1 Inhibitors of Akt Activity AKT1, AKT2, PIK3CD KDM4E 1266/4885MAPK1 380/4885ALDH1A1 3440/4885

“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.