SCHEMBL1872243

SCHEMBL1872243

CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4cccc(-c5cccnc5)c4)ncc3cc2Br)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.44
IKBKB O14920 1/20 0.44
KDM1A O60341 1/20 0.42
GBA1 P04062 1/20 0.42
IGF1R P08069 1/20 0.42
KIT P10721 2/20 0.41
ABL1 P00519 2/20 0.41
PDGFRB P09619 2/20 0.41
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
BCR P11274 1/20 0.40
SRC P12931 1/20 0.40
PDGFRA P16234 1/20 0.40
BRAF P15056 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL1571902 0.89 IKBKB (0.46) IKBKBABL1PDGFRBJAK2JAK3
SCHEMBL1570314 0.89 IKBKB (0.45) GPR119IKBKBIGF1RJAK2JAK3
SCHEMBL1572268 0.89 IGF1R (0.43) GPR119IKBKBKDM1AIGF1RJAK2
SCHEMBL1570949 0.89 TBK1 (0.46) GPR119IKBKBIGF1RJAK2JAK3
SCHEMBL1571689 0.88 EGFR (0.51) GPR119IKBKBIGF1RJAK2JAK3
SCHEMBL1572127 0.88 EGFR (0.46) IKBKBKDM1AIGF1RJAK2JAK3
SCHEMBL1571703 0.87 IKBKB (0.43) GPR119IKBKBGBA1KITABL1
SCHEMBL1876411 0.87 GPR119 (0.41) GPR119IKBKBKDM1AGBA1KIT
SCHEMBL13336352 0.85 JAK2 (0.44) IKBKBIGF1RJAK2JAK3JAK1
SCHEMBL12671571 0.83 IGF1R (0.40) GPR119IKBKBKDM1AIGF1RJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 GPR119 508/4885IKBKB 1011/4885KDM1A 1059/4885

“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.