SCHEMBL2809659

SCHEMBL2809659

COc1cc(OC)c2c(c1)C(=O)OC2O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
SLC2A1 P11166 2/20 0.58
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 4/20 0.45
CYP1A2 P05177 1/20 0.45
MAP2K3 P46734 1/20 0.43
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
AGTR1 P30556 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 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
SCHEMBL11400185 0.84 KDM4E (0.68) KDM4ESLC2A1ALDH1A1CYP3A4CYP1A2
SCHEMBL28568179 0.81 KDM4E (1.00) KDM4ESLC2A1ALDH1A1CYP3A4CYP1A2
SCHEMBL31548610 0.80 KDM4E (0.62) KDM4ESLC2A1ALDH1A1CYP3A4CYP1A2
SCHEMBL3901331 0.77 AR (0.44) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL20552496 0.77 AR (0.44) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL27596879 0.74 KDM4E (0.58) KDM4ESLC2A1ALDH1A1CYP3A4CYP1A2
SCHEMBL27579097 0.74 KDM4E (0.58) KDM4ESLC2A1ALDH1A1CYP3A4CYP1A2
SCHEMBL7921954 0.72 ATM (0.61) KDM4EALDH1A1CYP3A4ATMSMN1; SMN2
SCHEMBL28436076 0.71 KDM4E (0.43) KDM4ECYP3A4ATMLMNA
SCHEMBL6584591 0.71 MAPT (0.46) KDM4EALDH1A1CYP3A4SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195322-B1 IMIDAZO[1,2-A]PYRIMIDINE DERIVATIVES FOR TREATING DISEASES SUCH AS DIABETES MERCK PATENT GMBH (DE) 2014-08-06 EP disclosed
EP-2195322-B1 IMIDAZO[1,2-A]PYRIMIDINE DERIVATIVES FOR TREATING DISEASES SUCH AS DIABETES MERCK PATENT GMBH (DE) 2014-08-06 EP disclosed
US-8278312-B2 Imidazo 1,2-a pyrimidine derivatives for the treatment of diseases such as diabetes MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-10-02 US disclosed
US-8278312-B2 Imidazo 1,2-a pyrimidine derivatives for the treatment of diseases such as diabetes MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-10-02 US disclosed
US-8278312-B2 Imidazo 1,2-a pyrimidine derivatives for the treatment of diseases such as diabetes MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-10-02 US disclosed
US-20100249151-A1 IMIDAZO 1, 2-A PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS DIABETES Merck Patent Gesellschaft Beschrankter Haftung (DE) 2010-09-30 US disclosed
US-20100249151-A1 IMIDAZO 1, 2-A PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS DIABETES Merck Patent Gesellschaft Beschrankter Haftung (DE) 2010-09-30 US disclosed
US-20100249151-A1 IMIDAZO 1, 2-A PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS DIABETES Merck Patent Gesellschaft Beschrankter Haftung (DE) 2010-09-30 US disclosed
EP-2195322-A1 IMIDAZOÝ1,2-A¨PYRIMIDINE DERIVATIVES FOR TREATING DISEASES SUCH AS DIABETES Merck Patent GmbH (DE) 2010-06-16 EP disclosed
WO-2009049731-A1 IMIDAZO[1,2-A]PYRIMIDINE DERIVATIVES FOR TREATING DISEASES SUCH AS DIABETES MERCK PATENT GMBH (DE) 2009-04-23 WO disclosed
WO-2009049731-A1 IMIDAZO[1,2-A]PYRIMIDINE DERIVATIVES FOR TREATING DISEASES SUCH AS DIABETES MERCK PATENT GMBH (DE) 2009-04-23 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 (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-20100249151-A1 IMIDAZO 1, 2-A PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS DIABETES TYMS, CCNT1, INSR KDM4E 3197/4885SLC2A1 289/4885ALDH1A1 1007/4885

“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.