SCHEMBL924959

SCHEMBL924959

COC(=O)Cc1[nH]c(=O)ccc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
MET P08581 1/20 0.47
GSK3B P49841 1/20 0.47
LIMK1 P53667 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
GAA P10253 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 2/20 0.46
HSD17B10 Q99714 4/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 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
SCHEMBL26615720 0.83 CHEK1 (0.49) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL2365705 0.82 CHEK1 (0.48) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL23538029 0.79 CHEK1 (0.46) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL4008556 0.78 SMN1; SMN2 (0.47) GAAKDM4EGLAHSD17B10POLB
SCHEMBL3929954 0.74 KDM4E (0.53) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL10465981 0.74 KDM4E (0.53) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL23565871 0.73 GAA (0.51) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL20606945 0.71 MTNR1A (0.34) GAAKDM4EPOLBCRBNALDH1A1
SCHEMBL12233276 0.69 TSHR (0.56) GAAKDM4EGLAHSD17B10POLB
SCHEMBL1857268 0.69 CHEK1 (0.48) CHEK1METGSK3BLIMK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US disclosed
US-7868020-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2011-01-11 US disclosed
EP-2252613-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM, LLC (BM) 2010-11-24 EP disclosed
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-05-06 US disclosed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 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 (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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 CHEK1 4493/4885MET 1581/4885GSK3B 3354/4885
US-20100113516-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS TUBB3, TUBB1, NQO2 CHEK1 2683/4885MET 3834/4885GSK3B 3774/4885

“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.