SCHEMBL14574196

SCHEMBL14574196

CN1CCN(C(=S)Nc2ccc(N)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.71
RAB9A P51151 4/20 0.69
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
PTPN7 P35236 1/20 0.67
HTT P42858 1/20 0.67
DUSP3 P51452 1/20 0.67
PTPN5 P54829 1/20 0.67
PTPN11 Q06124 1/20 0.67
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 3/20 0.54
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL15134845 0.85 LMNA (0.73) LMNARAB9AKMT2AMEN1PTPN7
SCHEMBL14574197 0.84 SMN1; SMN2 (0.69) LMNARAB9AKMT2AMEN1GAA
SCHEMBL14119932 0.83 LMNA (1.00) LMNARAB9AKMT2AMEN1PTPN7
SCHEMBL14119811 0.81 MAPT (0.72) LMNARAB9AKMT2AMEN1PTPN7
SCHEMBL14574194 0.80 MAPT (0.69) LMNARAB9AKMT2AGAAMAPT
SCHEMBL3568415 0.80 KDM4E (0.67) LMNARAB9AKMT2AMEN1DUSP3
SCHEMBL14119537 0.78 L3MBTL1 (0.62) LMNARAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL14574163 0.77 MEN1 (1.00) LMNARAB9AKMT2AMEN1PTPN7
SCHEMBL501804 0.76 LMNA (1.00) LMNARAB9AKMT2AMEN1GAA
SCHEMBL11503445 0.74 GAA (0.77) LMNARAB9AKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases PLK2, PLK4, PDXK LMNA 841/4885RAB9A 3756/4885KMT2A 849/4885

“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.