SCHEMBL2546641

SCHEMBL2546641

O=C1NC(=O)/C(=C\c2cccc(C(F)(F)F)c2F)S1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 0.63
PIM2 Q9P1W9 10/20 0.63
IGF1R P08069 1/20 0.61
MYC P01106 1/20 0.58
MAX P61244 1/20 0.58
TTR P02766 3/20 0.55
MEN1 O00255 1/20 0.55
AKR1B1 P15121 1/20 0.55
KMT2A Q03164 1/20 0.55
CISD1 Q9NZ45 2/20 0.54
NAT1 P18440 1/20 0.54
PTPN1 P18031 1/20 0.51
GSK3B P49841 1/20 0.50
TDP2 O95551 1/20 0.49
CASP7 P55210 1/20 0.49
CASP9 P55211 1/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
PIM3 Q86V86 1/20 0.49
CYP3A4 P08684 1/20 0.48

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
SCHEMBL2546644 1.00 PIM1 (0.63) PIM1PIM2IGF1RMYCMAX
SCHEMBL2540674 0.87 MYC (0.74) PIM1PIM2IGF1RMYCMAX
SCHEMBL13846874 0.87 MYC (0.74) PIM1PIM2IGF1RMYCMAX
SCHEMBL2540672 0.87 MYC (0.74) PIM1PIM2IGF1RMYCMAX
SCHEMBL13499581 0.86 MYC (0.78) PIM1PIM2MYCMAXCISD1
SCHEMBL2542084 0.86 PIM1 (0.63) PIM1PIM2IGF1RMYCMAX
SCHEMBL2542086 0.86 PIM1 (0.63) PIM1PIM2IGF1RMYCMAX
SCHEMBL12259740 0.85 PIM1 (0.62) PIM1PIM2IGF1RMYCMAX
SCHEMBL2543105 0.82 PIM1 (0.60) PIM1PIM2IGF1RMYCMAX
SCHEMBL2543102 0.82 PIM1 (0.60) PIM1PIM2IGF1RMYCMAX

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-20110263664-A1 Inhibitors of PIM-1 Protein Kinases, Compositions and Methods for Treating Prostate Cancer MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2011-10-27 US claimed
US-20110263664-A1 Inhibitors of PIM-1 Protein Kinases, Compositions and Methods for Treating Prostate Cancer MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2011-10-27 US disclosed
EP-2217235-A2 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER Musc Foundation for Research Development (US) 2010-08-18 EP disclosed
WO-2009064486-A9 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER MUSC FOUND FOR RES DEV (US) 2009-07-16 WO disclosed
WO-2009064486-A2 INHIBITORS OF PIM PROTEIN KINASES, COMPOSITIONS, AND METHODS FOR TREATING CANCER MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2009-05-22 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-20110263664-A1 Inhibitors of PIM-1 Protein Kinases, Compositions and Methods for Treating Prostate Cancer PIM1, PIM2, PIM3 PIM1 1/4885PIM2 2/4885IGF1R 1303/4885

“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.