SCHEMBL10062853

SCHEMBL10062853

O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1cccc(Br)c1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.76
TTK P33981 6/20 0.76
AURKB Q96GD4 5/20 0.76
INCENP Q9NQS7 5/20 0.76
AURKA O14965 4/20 0.76
KIT P10721 3/20 0.64
SRC P12931 3/20 0.64
FLT3 P36888 3/20 0.64
GPR142 Q7Z601 6/20 0.51

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
SCHEMBL15850254 0.87 ITK (0.78) ITKTTKAURKBINCENPAURKA
SCHEMBL5241521 0.87 ITK (0.78) ITKTTKAURKBINCENPAURKA
SCHEMBL10062814 0.87 ITK (1.00) ITKTTKAURKBINCENPAURKA
SCHEMBL15850097 0.86 ITK (0.76) ITKTTKAURKBINCENPAURKA
SCHEMBL10062822 0.86 ITK (1.00) ITKTTKAURKBINCENPAURKA
SCHEMBL10062836 0.83 ITK (0.80) ITKTTKAURKBINCENPAURKA
SCHEMBL15850136 0.83 TTK (0.80) ITKTTKAURKBINCENPAURKA
SCHEMBL10062850 0.83 ITK (0.71) ITKTTKAURKBINCENPAURKA
SCHEMBL10062857 0.83 ITK (0.71) ITKTTKAURKBINCENPAURKA
SCHEMBL10062866 0.83 ITK (0.74) ITKTTKAURKBINCENPAURKA

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
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 393/4885TTK 242/4885AURKB 167/4885
US-20130184259-A1 PYRIDONES USEFUL AS INHIBITORS OF KINASES MAP3K20, MAP3K6, MAP3K5 ITK 393/4885TTK 242/4885AURKB 167/4885

“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.