SCHEMBL141010

SCHEMBL141010

COc1ccc2nc(Nc3cc(C(F)(F)c4ccc(F)cc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITK Q08881 19/20 1.00
LCK P06239 18/20 1.00
AURKB Q96GD4 17/20 0.75
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41
SRC P12931 1/20 0.41
TEC P42680 1/20 0.41
TXK P42681 1/20 0.41
BMX P51813 1/20 0.41
BTK Q06187 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL141011 1.00 ITK (1.00) ITKLCKAURKBEGFRINSR
SCHEMBL143617 0.86 LCK (1.00) ITKLCKAURKBEGFRINSR
SCHEMBL143616 0.86 LCK (1.00) ITKLCKAURKBEGFRINSR
SCHEMBL455203 0.83 LCK (0.72) ITKLCKAURKBEGFRINSR
SCHEMBL455202 0.83 LCK (0.72) ITKLCKAURKBEGFRINSR
SCHEMBL139892 0.83 ITK (0.81) ITKLCKAURKBEGFRINSR
SCHEMBL139891 0.83 ITK (0.81) ITKLCKAURKBEGFRINSR
SCHEMBL139967 0.83 ITK (0.81) ITKLCKAURKBEGFRINSR
SCHEMBL139966 0.83 ITK (0.81) ITKLCKAURKBEGFRINSR
SCHEMBL137557 0.82 ITK (0.77) ITKLCKAURKBEGFRINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 US disclosed
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 US disclosed
EP-2408769-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS Glaxo Group Limited (GB) 2012-01-25 EP disclosed
WO-2010106016-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2010-09-23 WO 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 (1 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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK ITK 2/4885LCK 189/4885AURKB 53/4885

“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.