SCHEMBL1658823

SCHEMBL1658823

CC(=O)n1ncc2c3c(ccc21)C(=O)CC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
CSNK1A1 P48729 1/20 0.42
GSK3A P49840 1/20 0.42
LIMK1 P53667 1/20 0.42
IKBKE Q14164 1/20 0.42
MAPK14 Q16539 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
CREBBP Q92793 2/20 0.38
ELANE P08246 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 2/20 0.35
SLC2A1 P11166 2/20 0.33
GAA P10253 1/20 0.32
NOTUM Q6P988 1/20 0.30

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
SCHEMBL21186737 0.70 CHEK1 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1658813 0.70 RECQL (0.46) ALDH1A1KDM4EHPGDGAA
SCHEMBL3604733 0.69 CHEK1 (0.50) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL2431781 0.68 CHEK1 (0.42) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL17264057 0.67 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDGAA
SCHEMBL11509381 0.67 CHEK1 (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1693302 0.67 CHEK1 (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3606256 0.67 CHEK1 (0.51) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3910238 0.67 CHEK1 (0.51) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL13745658 0.67 CHEK1 (0.41) CHEK1AURKADAPK3CSNK1A1GSK3A

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
EP-1943224-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-27 EP disclosed
EP-1943224-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-27 EP disclosed
US-7923568-B2 Estrogen receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-04-12 US disclosed
US-7923568-B2 Estrogen receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-04-12 US disclosed
US-7923568-B2 Estrogen receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-04-12 US disclosed
US-20100168188-A1 Estrogen Receptor Modulators MERCK SHARP & DOHME LLC 2010-07-01 US disclosed
US-20100168188-A1 Estrogen Receptor Modulators MERCK SHARP & DOHME LLC 2010-07-01 US disclosed
US-20100168188-A1 Estrogen Receptor Modulators MERCK SHARP & DOHME LLC 2010-07-01 US disclosed
EP-1943224-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2009-07-15 EP disclosed
EP-1943224-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-07-16 EP disclosed
WO-2007089291-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089291-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-08-09 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-20100168188-A1 Estrogen Receptor Modulators ESR2, GPER1, ESRRA CHEK1 3028/4885AURKA 3913/4885DAPK3 1190/4885

“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.