SCHEMBL1136730

SCHEMBL1136730

I/C=C/c1ccc(N2CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.62
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 2/20 0.60
TRIM24 O15164 1/20 0.57
TRIM33 Q9UPN9 1/20 0.57
MAPT P10636 6/20 0.56
CTSL P07711 3/20 0.51
CTSB P07858 3/20 0.51
ACHE P22303 3/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 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
SCHEMBL1136732 1.00 PTGS2 (0.62) PTGS2ALDH1A1SMN1; SMN2KDM4ETRIM24
SCHEMBL7718270 0.87 ALDH1A1 (0.69) PTGS2ALDH1A1SMN1; SMN2KDM4ETRIM24
SCHEMBL7718267 0.87 ALDH1A1 (0.69) PTGS2ALDH1A1SMN1; SMN2KDM4ETRIM24
SCHEMBL13766546 0.85 TRIM24 (0.68) PTGS2ALDH1A1SMN1; SMN2KDM4ETRIM24
SCHEMBL21428689 0.80 ALDH1A1 (0.60) PTGS2ALDH1A1SMN1; SMN2KDM4ETRIM24
SCHEMBL28090139 0.80 ALDH1A1 (0.60) PTGS2ALDH1A1SMN1; SMN2KDM4ETRIM24
SCHEMBL11244951 0.79 PTGS2 (0.96) PTGS2ALDH1A1SMN1; SMN2KDM4ETRIM24
SCHEMBL10770812 0.78 MAPT (0.58) PTGS2ALDH1A1SMN1; SMN2KDM4ETRIM24
SCHEMBL9915657 0.78 MAPT (0.65) PTGS2ALDH1A1SMN1; SMN2KDM4ETRIM24
SCHEMBL24747120 0.78 PTGS2 (0.59) PTGS2ALDH1A1SMN1; SMN2KDM4ETRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919905-B1 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECPTOR TYROSINE KINASES VERTEX PHARMA (US) 2011-02-23 EP disclosed
EP-1919905-B1 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECPTOR TYROSINE KINASES VERTEX PHARMA (US) 2011-02-23 EP disclosed
US-7786120-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786120-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786120-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
EP-1919905-A2 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECPTOR TYROSINE KINASES Vertex Pharmaceuticals Incorporated (US) 2008-05-14 EP disclosed
US-20070185125-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-09 US disclosed
US-20070185125-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-09 US disclosed
US-20070185125-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-09 US disclosed
WO-2007027528-A2 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-.RECEPTOR TYROSINE KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-08 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-20070185125-A1 Pyridones useful as inhibitors of kinases MAP3K20, MAP3K6, MAP3K5 PTGS2 1223/4885ALDH1A1 3432/4885SMN1; SMN2 1891/4885

“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.