SCHEMBL2014580

SCHEMBL2014580

CC1=CC(=O)CC(C)C1C(=O)OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 3/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11283241 0.82 MAPK1 (0.44) MAPK1ALDH1A1POLBL3MBTL1KDM4E
SCHEMBL11489215 0.82 ALDH1A1 (0.71) MAPK1ALDH1A1POLBL3MBTL1LMNA
SCHEMBL11266617 0.80 MAPK1 (0.45) MAPK1ALDH1A1POLBL3MBTL1
SCHEMBL28438080 0.79 ALDH1A1 (0.60) MAPK1ALDH1A1POLBL3MBTL1KDM4E
SCHEMBL15295671 0.76 ALDH1A1 (0.49) MAPK1ALDH1A1POLBL3MBTL1LMNA
SCHEMBL11278625 0.73 MAPK1 (0.46) MAPK1ALDH1A1POLBL3MBTL1LMNA
SCHEMBL29191889 0.67 ALDH1A1 (0.56) ALDH1A1POLBL3MBTL1LMNAKDM4E
SCHEMBL2013269 0.66 KDM4E (0.34) ALDH1A1LMNAKDM4EUSP2HSD17B10
SCHEMBL15604500 0.66 ALDH1A1 (1.00) MAPK1ALDH1A1POLBKDM4EHSD17B10
SCHEMBL13248669 0.66 ALDH1A1 (0.69) MAPK1ALDH1A1POLBL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 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 (3 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK MAPK1 755/4885ALDH1A1 1614/4885POLB 632/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK MAPK1 755/4885ALDH1A1 1614/4885POLB 632/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK MAPK1 755/4885ALDH1A1 1614/4885POLB 632/4885

“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.