SCHEMBL140894

SCHEMBL140894

Cc1ccc2nc(Nc3cc(Cc4ccccc4)nc(NC4CCC(O)CC4)n3)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 16/20 1.00
LCK P06239 15/20 1.00
AURKB Q96GD4 14/20 1.00
EGFR P00533 1/20 0.85
INSR P06213 1/20 0.85
SRC P12931 1/20 0.85
TEC P42680 1/20 0.85
TXK P42681 1/20 0.85
BMX P51813 1/20 0.85
BTK Q06187 1/20 0.85
LRRK2 Q5S007 1/20 0.85
CAMKK2 Q96RR4 1/20 0.85
IRAK4 Q9NWZ3 1/20 0.85
PLK4 O00444 1/20 0.49
PAK4 O96013 1/20 0.49
KMT2A Q03164 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
SCHEMBL140893 1.00 ITK (1.00) ITKLCKAURKBEGFRINSR
SCHEMBL141374 0.92 ITK (1.00) ITKLCKAURKBEGFRINSR
SCHEMBL29742712 0.92 ITK (1.00) ITKLCKAURKBEGFRINSR
SCHEMBL141373 0.92 ITK (1.00) ITKLCKAURKBEGFRINSR
SCHEMBL143582 0.91 ITK (0.85) ITKLCKAURKBEGFRINSR
SCHEMBL143583 0.91 ITK (0.85) ITKLCKAURKBEGFRINSR
SCHEMBL140282 0.91 ITK (0.87) ITKLCKAURKBEGFRINSR
SCHEMBL140283 0.91 ITK (0.87) ITKLCKAURKBEGFRINSR
SCHEMBL138480 0.90 ITK (1.00) ITKLCKAURKBEGFRINSR
SCHEMBL138479 0.90 ITK (1.00) 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.