Sugi Predict

Sugi Predict / Compounds / SCHEMBL10063102

SCHEMBL10063102

SCHEMBL10063102

CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2)n1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 13/20 0.85
▸ FLT3 P36888 12/20 0.85
▸ SRC P12931 11/20 0.85
▸ KIT P10721 10/20 0.85
▸ AURKA O14965 2/20 0.68
▸ TTK P33981 2/20 0.68
▸ AURKB Q96GD4 2/20 0.68
▸ INCENP Q9NQS7 2/20 0.68
▸ MAP3K7 O43318 1/20 0.65
▸ JAK2 O60674 1/20 0.65
▸ LCK P06239 1/20 0.65
▸ KDR P35968 1/20 0.65
▸ JAK3 P52333 1/20 0.65
▸ DYRK1A Q13627 2/20 0.51
▸ CHEK1 O14757 3/20 0.50
▸ CLK1 P49759 1/20 0.47

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
SCHEMBL10080922 0.93 ITK (0.98) ITKFLT3SRCKITAURKA
SCHEMBL10063031 0.92 ITK (1.00) ITKFLT3SRCKITAURKA
SCHEMBL11886734 0.91 ITK (0.85) ITKFLT3SRCKITAURKA
SCHEMBL10063075 0.91 ITK (0.79) ITKFLT3SRCKITAURKA
SCHEMBL15850137 0.89 AURKA (0.69) ITKFLT3SRCKITAURKA
SCHEMBL10063068 0.88 ITK (0.86) ITKFLT3SRCKITAURKA
SCHEMBL10063087 0.86 ITK (0.77) ITKFLT3SRCKITAURKA
SCHEMBL10063100 0.84 ITK (0.74) ITKFLT3SRCKITAURKA
SCHEMBL15850173 0.83 ITK (0.81) ITKFLT3SRCKITAURKA
SCHEMBL15850153 0.82 ITK (0.79) 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 7 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-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.