SCHEMBL10063015

SCHEMBL10063015

CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(Cc4ccccc4)cc3)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 12/20 0.68
SRC P12931 7/20 0.68
FLT3 P36888 7/20 0.68
AURKA O14965 3/20 0.65
TTK P33981 3/20 0.65
AURKB Q96GD4 3/20 0.65
INCENP Q9NQS7 3/20 0.65
KIT P10721 6/20 0.50
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 2/20 0.45
HDAC3 O15379 2/20 0.45
NCOR1 O75376 2/20 0.45
CYP3A4 P08684 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL10062973 0.92 TTK (0.75) ITKSRCFLT3AURKATTK
SCHEMBL10063034 0.90 TTK (0.73) ITKSRCFLT3AURKATTK
SCHEMBL10063007 0.90 ITK (0.63) ITKSRCFLT3AURKATTK
SCHEMBL10062923 0.85 ITK (0.71) ITKSRCFLT3AURKATTK
SCHEMBL10062930 0.84 AURKA (0.61) ITKSRCFLT3AURKATTK
SCHEMBL10063024 0.81 ITK (0.63) ITKSRCFLT3AURKATTK
SCHEMBL10062949 0.81 ITK (1.00) ITKSRCFLT3AURKATTK
SCHEMBL10063009 0.80 ITK (0.85) ITKSRCFLT3AURKATTK
SCHEMBL14326446 0.80 ITK (0.61) ITKSRCFLT3AURKATTK
SCHEMBL10063022 0.79 ITK (0.55) ITKSRCFLT3AURKATTK

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 8 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-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 393/4885SRC 339/4885FLT3 412/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ITK 393/4885SRC 339/4885FLT3 412/4885

“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.