SCHEMBL12864591

SCHEMBL12864591

CNc1cncc(-c2c[nH]c(=O)c(/C=C/c3ccc(N4CCNCC4)cc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 6/20 0.53
KIT P10721 4/20 0.53
SRC P12931 4/20 0.53
FLT3 P36888 4/20 0.53
TGFBR1 P36897 4/20 0.40
ACVR1 Q04771 5/20 0.39
ACVR1B P36896 1/20 0.39
PIM1 P11309 2/20 0.36
PIM3 Q86V86 1/20 0.36
DYRK3 O43781 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
TGFB2 P61812 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL13209779 0.87 TGFBR1 (0.42) ITKKITSRCFLT3TGFBR1
SCHEMBL12864804 0.83 ITK (0.54) ITKKITSRCFLT3TGFBR1
SCHEMBL1136845 0.78 FLT3 (0.54) ITKKITSRCFLT3ACVR1
SCHEMBL12864181 0.78 FLT3 (0.54) ITKKITSRCFLT3ACVR1
SCHEMBL12864182 0.70 ITK (0.43) ITKKITSRCFLT3
SCHEMBL10063086 0.69 ITK (1.00) ITKKITSRCFLT3
SCHEMBL12864586 0.69 FLT3 (0.64) ITKKITSRCFLT3
SCHEMBL3372750 0.66 ADRB1 (0.61) MAOB
SCHEMBL31684829 0.65 ADRB2 (0.50) TGFBR1ACVR1MAOB
SCHEMBL12431850 0.64 ADRB2 (0.70) PIM1PIM3MAOB

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 401/4885KIT 907/4885SRC 369/4885

“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.