SCHEMBL2544392

SCHEMBL2544392

CN(C)c1ccc(/C=C2/SC(=O)NC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 1.00
PIM2 Q9P1W9 8/20 1.00
CRHBP P24387 1/20 0.77
CRHR2 Q13324 1/20 0.77
GSK3B P49841 4/20 0.73
HPGD P15428 2/20 0.67
PIM3 Q86V86 1/20 0.64
AKR1B1 P15121 2/20 0.62
RAB9A P51151 2/20 0.62
MAOA P21397 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAOB P27338 1/20 0.62
NPC1 O15118 1/20 0.61
IGF1R P08069 1/20 0.61
CISD1 Q9NZ45 2/20 0.60
TUBB4A P04350 1/20 0.59
TUBB P07437 1/20 0.59
TUBA3C P0DPH7 1/20 0.59
TUBA1B P68363 1/20 0.59
TUBA4A P68366 1/20 0.59

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
SCHEMBL1248777 1.00 PIM1 (1.00) PIM1PIM2CRHBPCRHR2GSK3B
SCHEMBL1248775 1.00 PIM1 (1.00) PIM1PIM2CRHBPCRHR2GSK3B
SCHEMBL194558 0.87 CRHBP (1.00) PIM1PIM2CRHBPCRHR2RAB9A
SCHEMBL194557 0.87 CRHBP (1.00) PIM1PIM2CRHBPCRHR2RAB9A
SCHEMBL1249935 0.87 CRHBP (1.00) PIM1PIM2CRHBPCRHR2RAB9A
SCHEMBL8186778 0.85 PIM1 (0.74) PIM1PIM2CRHBPCRHR2GSK3B
SCHEMBL8186777 0.85 PIM1 (0.74) PIM1PIM2CRHBPCRHR2GSK3B
SCHEMBL7459904 0.85 GSK3B (1.00) PIM1PIM2CRHBPCRHR2GSK3B
SCHEMBL7459901 0.85 GSK3B (1.00) PIM1PIM2CRHBPCRHR2GSK3B
SCHEMBL1249305 0.84 PIM1 (0.72) PIM1PIM2CRHBPCRHR2GSK3B

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 4 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 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 2/4885CRHBP 3402/4885

“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.