SCHEMBL12864804

SCHEMBL12864804

CNc1cncc(-c2c[nH]c(=O)c(/C=C/c3ccc(N4CCNCC4)cc3)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.54
SRC P12931 7/20 0.54
FLT3 P36888 7/20 0.54
KIT P10721 6/20 0.54
MAP3K7 O43318 1/20 0.42
JAK2 O60674 1/20 0.42
LCK P06239 1/20 0.42
KDR P35968 1/20 0.42
JAK3 P52333 1/20 0.42
PIM2 Q9P1W9 3/20 0.38
FYN P06241 1/20 0.37
KARS1 Q15046 2/20 0.36
BRAF P15056 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
TGFBR1 P36897 2/20 0.35
ACVR1 Q04771 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL12864591 0.83 ITK (0.53) ITKSRCFLT3KITPIM1
SCHEMBL1136845 0.82 FLT3 (0.54) ITKSRCFLT3KITJAK2
SCHEMBL12864181 0.82 FLT3 (0.54) ITKSRCFLT3KITJAK2
SCHEMBL13209779 0.80 TGFBR1 (0.42) ITKSRCFLT3KITPIM2
SCHEMBL11886734 0.79 ITK (0.85) ITKSRCFLT3KITMAP3K7
SCHEMBL10063068 0.76 ITK (0.86) ITKSRCFLT3KITMAP3K7
SCHEMBL12864586 0.73 FLT3 (0.64) ITKSRCFLT3KITJAK2
SCHEMBL10080922 0.71 ITK (0.98) ITKSRCFLT3KITMAP3K7
SCHEMBL10063031 0.70 ITK (1.00) ITKSRCFLT3KITMAP3K7
SCHEMBL10063102 0.70 ITK (0.85) ITKSRCFLT3KITMAP3K7

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 6 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
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-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 ITK 401/4885SRC 369/4885FLT3 416/4885

“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.