SCHEMBL136866

SCHEMBL136866

OC1CCC(Nc2nc(CN3CCCCC3)cc(Nc3nc4cccnc4s3)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 15/20 0.72
LCK P06239 13/20 0.72
AURKB Q96GD4 12/20 0.72
EGFR P00533 1/20 0.48
INSR P06213 1/20 0.48
SRC P12931 1/20 0.48
TEC P42680 1/20 0.48
TXK P42681 1/20 0.48
BMX P51813 1/20 0.48
BTK Q06187 1/20 0.48
LRRK2 Q5S007 1/20 0.48
CAMKK2 Q96RR4 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48
RORC P51449 1/20 0.43
DHODH Q02127 1/20 0.43
SSTR5 P35346 1/20 0.43
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38

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
SCHEMBL136865 1.00 ITK (0.72) ITKLCKAURKBEGFRINSR
SCHEMBL143601 0.99 ITK (0.73) ITKLCKAURKBEGFRINSR
SCHEMBL143600 0.99 ITK (0.73) ITKLCKAURKBEGFRINSR
SCHEMBL138603 0.92 ITK (0.71) ITKLCKAURKBEGFRINSR
SCHEMBL138604 0.92 ITK (0.71) ITKLCKAURKBEGFRINSR
SCHEMBL139139 0.92 LCK (0.70) ITKLCKAURKBEGFRINSR
SCHEMBL139140 0.92 LCK (0.70) ITKLCKAURKBEGFRINSR
SCHEMBL13189579 0.92 ITK (0.70) ITKLCKAURKBEGFRINSR
SCHEMBL143047 0.91 ITK (0.69) ITKLCKAURKBEGFRINSR
SCHEMBL143049 0.91 ITK (0.69) 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 3 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
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.