SCHEMBL137782

SCHEMBL137782

COc1ccc2nc(Nc3cc(Cc4ccccc4)nc(Nc4ccc(CC(=O)O)cc4F)n3)sc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.60
ITK Q08881 13/20 0.60
AURKB Q96GD4 12/20 0.60
BTK Q06187 2/20 0.41
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
LRRK2 Q5S007 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
HCK P08631 1/20 0.35
ROCK2 O75116 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL178936 0.91 LCK (0.61) LCKITKAURKBBTKEGFR
SCHEMBL138768 0.83 AURKB (0.59) LCKITKAURKBBTKEGFR
SCHEMBL141967 0.83 AURKB (0.60) LCKITKAURKBBTKEGFR
SCHEMBL139816 0.82 AURKB (0.63) LCKITKAURKBBTKEGFR
SCHEMBL138318 0.81 LCK (0.66) LCKITKAURKBBTKEGFR
SCHEMBL140998 0.79 AURKB (0.58) LCKITKAURKBBTKEGFR
SCHEMBL10270977 0.78 LCK (0.66) LCKITKAURKBBTKEGFR
SCHEMBL178956 0.77 LCK (0.60) LCKITKAURKBBTKEGFR
Formic Acid SCHEMBL145082 0.77 LCK (0.57) LCKITKAURKBBTKEGFR
SCHEMBL136795 0.77 LCK (0.66) LCKITKAURKBBTKEGFR

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 189/4885ITK 2/4885AURKB 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.