SCHEMBL2551331

SCHEMBL2551331

CCS(=O)(=O)N1CCC(O)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 4/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL21795445 0.86 KDM4E (0.42) POLBKDM4EL3MBTL1TSHRGAA
SCHEMBL1773955 0.78 TP53 (0.53) POLBKDM4EL3MBTL1TSHRMAPT
SCHEMBL8263007 0.78 KDM4E (0.65) POLBKDM4EL3MBTL1TSHRGAA
SCHEMBL5612362 0.77 ALDH1A1 (0.45) POLBKDM4EL3MBTL1TSHRGAA
SCHEMBL695370 0.76 KDM4E (0.44) POLBKDM4EL3MBTL1TSHRGAA
SCHEMBL1562656 0.76 KDM4E (0.44) POLBKDM4EL3MBTL1TSHRGAA
SCHEMBL10265740 0.76 KDM4E (0.44) POLBKDM4EL3MBTL1TSHRGAA
SCHEMBL24997068 0.76 POLB (0.52) POLBKDM4EL3MBTL1TSHRMAPT
SCHEMBL8341632 0.76 POLB (0.52) POLBKDM4EL3MBTL1TSHRMAPT
SCHEMBL28242652 0.76

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-2382204-B1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES MERCK SHARP & DOHME (US) 2018-07-11 EP disclosed
US-8722882-B2 Pyrimidine derivatives as GPCR modulators for use in the treatment of obesity and diabetes MERCK SHARP & DOHME CORP. (US) 2014-05-13 US disclosed
US-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES SCHERING CORPORATION (US) 2011-10-27 US disclosed
US-20110224157-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 US disclosed
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 US disclosed
US-7705004-B2 Protein kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
US-20090054425-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 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 (7 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-20110224157-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 POLB 430/4885KDM4E 528/4885L3MBTL1 2309/4885
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 POLB 430/4885KDM4E 528/4885L3MBTL1 2309/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 POLB 1025/4885KDM4E 358/4885L3MBTL1 1412/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 POLB 430/4885KDM4E 528/4885L3MBTL1 2309/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 POLB 430/4885KDM4E 528/4885L3MBTL1 2309/4885
US-20090054425-A1 PROTEIN KINASE INHIBITORS SYK, JAK2, BTK POLB 3703/4885KDM4E 1152/4885L3MBTL1 2717/4885
US-20110263570-A1 PYRIMIDINE DERIVATIVES AS GPCR MODULATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES GPR119, GCGR, GPR65 POLB 2628/4885KDM4E 3328/4885L3MBTL1 4609/4885

“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.