SCHEMBL140852

SCHEMBL140852

Cc1ccc2nc(Nc3ccnc(NC4CCC(O)CC4)n3)sc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.66
AURKB Q96GD4 13/20 0.66
ITK Q08881 13/20 0.66
EGFR P00533 1/20 0.55
INSR P06213 1/20 0.55
SRC P12931 1/20 0.55
TEC P42680 1/20 0.55
TXK P42681 1/20 0.55
BMX P51813 1/20 0.55
BTK Q06187 1/20 0.55
LRRK2 Q5S007 1/20 0.55
CAMKK2 Q96RR4 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.55
MERTK Q12866 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL140851 1.00 LCK (0.66) LCKAURKBITKEGFRINSR
SCHEMBL144366 0.88 ITK (0.52) LCKAURKBITKEGFRINSR
SCHEMBL144365 0.88 ITK (0.52) LCKAURKBITKEGFRINSR
SCHEMBL2370452 0.84 LCK (0.64) LCKAURKBITKEGFRINSR
SCHEMBL2370446 0.84 LCK (0.64) LCKAURKBITKEGFRINSR
SCHEMBL140128 0.82 ITK (0.47) LCKAURKBITKEGFRINSR
SCHEMBL112793 0.82 ITK (0.47) LCKAURKBITKEGFRINSR
SCHEMBL140894 0.80 ITK (1.00) LCKAURKBITKEGFRINSR
SCHEMBL140893 0.80 ITK (1.00) LCKAURKBITKEGFRINSR
SCHEMBL143509 0.79 PIK3CG (0.49) LCKAURKBITKEGFRINSR

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 LCK 189/4885AURKB 53/4885ITK 2/4885

“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.