SCHEMBL10063002

SCHEMBL10063002

CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCN(CCCOC)CC4)cc3)c2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 11/20 0.74
FLT3 P36888 11/20 0.74
SRC P12931 10/20 0.74
KIT P10721 9/20 0.55
AURKA O14965 4/20 0.53
TTK P33981 4/20 0.53
AURKB Q96GD4 4/20 0.53
INCENP Q9NQS7 4/20 0.53
JAK2 O60674 3/20 0.45
JAK3 P52333 2/20 0.45
MAP3K7 O43318 1/20 0.45
LCK P06239 1/20 0.45
KDR P35968 1/20 0.45
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
HDAC1 Q13547 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40

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
SCHEMBL10062949 0.85 ITK (1.00) ITKFLT3SRCKITAURKA
SCHEMBL10063013 0.85 FLT3 (0.82) ITKFLT3SRCKITAURKA
SCHEMBL10063009 0.85 ITK (0.85) ITKFLT3SRCKITAURKA
SCHEMBL10063001 0.84 ITK (0.81) ITKFLT3SRCKITAURKA
SCHEMBL10062901 0.84 TTK (0.75) ITKFLT3SRCKITAURKA
SCHEMBL15850258 0.80 AURKA (0.53) ITKFLT3SRCKITAURKA
SCHEMBL10062992 0.78 ITK (0.81) ITKFLT3SRCKITAURKA
SCHEMBL10063047 0.78 ITK (0.72) ITKFLT3SRCKITAURKA
SCHEMBL10062973 0.77 TTK (0.75) ITKFLT3SRCKITAURKA
SCHEMBL10062972 0.77 ITK (0.74) ITKFLT3SRCKITAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831168-B1 PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY PROTEIN KINASES FOR THE TREATMENT OF INFLAMMATORY, PROLIFERATIVE AND IMMUNOLOGICALLY-MEDIATED DISEASES. VERTEX PHARMA (US) 2014-07-02 EP disclosed
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8338597-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 US disclosed
US-8338597-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 US disclosed
US-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 US disclosed
US-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-26 US disclosed
US-8101770-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 US disclosed
US-8101770-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 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 (2 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-20120190699-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ITK 393/4885FLT3 412/4885SRC 339/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ITK 393/4885FLT3 412/4885SRC 339/4885

“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.