SCHEMBL10062849

SCHEMBL10062849

O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.57
AURKA O14965 7/20 0.57
TTK P33981 5/20 0.57
AURKB Q96GD4 5/20 0.57
INCENP Q9NQS7 4/20 0.57
KIT P10721 3/20 0.56
SRC P12931 3/20 0.56
FLT3 P36888 3/20 0.56
GPR142 Q7Z601 3/20 0.53
CHEK2 O96017 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
FLT4 P35916 1/20 0.46
ABL2 P42684 1/20 0.46
BLK P51451 1/20 0.46
LIMK1 P53667 1/20 0.46

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
SCHEMBL10062844 0.84 ITK (0.62) ITKAURKATTKAURKBINCENP
SCHEMBL10062852 0.81 ITK (0.78) ITKAURKATTKAURKBINCENP
SCHEMBL10062858 0.79 ITK (0.70) ITKAURKATTKAURKBINCENP
SCHEMBL10062845 0.78 ITK (0.73) ITKAURKATTKAURKBINCENP
SCHEMBL10062846 0.77 ITK (0.64) ITKAURKATTKAURKBINCENP
SCHEMBL10062877 0.77 ITK (0.64) ITKAURKATTKAURKBINCENP
SCHEMBL10062830 0.76 TTK (0.66) ITKAURKATTKAURKBINCENP
SCHEMBL10062857 0.75 ITK (0.71) ITKAURKATTKAURKBINCENP
SCHEMBL10062835 0.74 ITK (0.70) ITKAURKATTKAURKBINCENP
SCHEMBL11456925 0.74 ITK (0.73) ITKAURKATTKAURKBINCENP

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 393/4885AURKA 97/4885TTK 242/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ITK 393/4885AURKA 97/4885TTK 242/4885

“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.