SCHEMBL2491300

SCHEMBL2491300

CC(C)(C)OC(=O)N1CCC(Sc2ccc(N)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.49
GCK P35557 1/20 0.49
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
HPGD P15428 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43

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
SCHEMBL1886051 0.84 GPR119 (0.54) GPR119PTPN2PTPN1PTPN6HPGD
SCHEMBL15232624 0.83 GPR119 (0.58) GPR119GCK
SCHEMBL611718 0.81 DDB1 (0.60) GPR119ALOX5APFEN1DDB1CRBN
SCHEMBL29497122 0.81 DDB1 (0.60) GPR119ALOX5APFEN1DDB1CRBN
SCHEMBL1532538 0.80 GPR119 (0.55) GPR119PTPN2PTPN1PTPN6HPGD
SCHEMBL22759260 0.80 GPR119 (0.62) GPR119GCKPTPN2PTPN1PTPN6
SCHEMBL4777861 0.80 GPR119 (0.69) GPR119PTPN2PTPN1PTPN6HPGD
SCHEMBL5440270 0.79 GPR119 (0.54) GPR119PTPN2PTPN1PTPN6HPGD
SCHEMBL4768413 0.79 GPR119 (0.54) GPR119GCKPTPN2PTPN1PTPN6
SCHEMBL2797073 0.79 STS (0.57) GPR119PTPN2PTPN1PTPN6HPGD

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
EP-2379528-B1 PROTEIN KINASE INHIBITORS LILLY CO ELI (US) 2013-09-18 EP disclosed
EP-2379528-A1 PROTEIN KINASE INHIBITORS Eli Lilly and Company (US) 2011-10-26 EP disclosed
US-7855211-B2 such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases ELI LILLY AND COMPANY (US) 2010-12-21 US disclosed
WO-2010075074-A1 PROTEIN KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-07-01 WO disclosed
US-20100160340-A1 such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases ELI LILLY AND COMPANY 2010-06-24 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 (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-20100160340-A1 such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases MKI67, PKD1, CCNI GPR119 1713/4885GCK 2667/4885ALOX5AP 2049/4885

“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.