SCHEMBL2116017

SCHEMBL2116017

CCOc1c(C(N)=O)ccnc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
CDC7 O00311 2/20 0.40
IKBKB O14920 1/20 0.40
MAP2K1 Q02750 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 2/20 0.39
BCAT2 O15382 1/20 0.39
TTK P33981 2/20 0.39

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
SCHEMBL27890738 0.77 KDM4E (0.46) MKNK1MKNK2ALDH1A1JAK2CDC7
SCHEMBL2116015 0.77 MKNK1 (0.45) MKNK1MKNK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL5504641 0.77 BCAT2 (0.57) MKNK1MKNK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL2732163 0.76 KDM4E (0.44) MKNK1MKNK2ALDH1A1SMN1; SMN2LMNA
SCHEMBL9959802 0.76 PARP10 (0.45) MAPTLMNAJAK2CDC7MAP2K1
SCHEMBL530231 0.75 MKNK1 (0.43) MKNK1MKNK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1758364 0.75 IKBKB (0.47) ALDH1A1JAK2CDC7IKBKBMAP2K1
SCHEMBL5217185 0.75 CDC7 (0.46) ALDH1A1JAK2CDC7IKBKBMAP2K1
SCHEMBL7201932 0.75 BCAT2 (0.46) ALDH1A1JAK2CDC7IKBKBMAP2K1
SCHEMBL15529004 0.75 PARP10 (0.49) MKNK1MKNK2ALDH1A1MAPTSMN1; SMN2

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
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
US-8637706-B2 Nuclear receptor binding agents GTX, INC. (US) 2014-01-28 US disclosed
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2012-06-21 US disclosed
US-8158828-B2 Nuclear receptor binding agents GTX, INC. (US) 2012-04-17 US disclosed
US-20090062341-A1 Nuclear receptor binding agents GTX, INC 2009-03-05 US disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 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 (4 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-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 MKNK1 2900/4885MKNK2 2456/4885ALDH1A1 2700/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 MKNK1 929/4885MKNK2 1137/4885ALDH1A1 3644/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 MKNK1 929/4885MKNK2 1137/4885ALDH1A1 3644/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 MKNK1 929/4885MKNK2 1137/4885ALDH1A1 3644/4885

“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.