SCHEMBL1867720

SCHEMBL1867720

CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4cccc(-c5cnco5)c4)ncc3cc2-c2[nH]nnc2C=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.46
ERBB2 P04626 5/20 0.46
GPR119 Q8TDV5 8/20 0.38
TBK1 Q9UHD2 1/20 0.38
PRKCQ Q04759 1/20 0.38
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL1572819 0.91 EGFR (0.47) EGFRERBB2TBK1PRKCQWNT1
SCHEMBL1871547 0.91 EGFR (0.46) EGFRERBB2GPR119TBK1PRKCQ
SCHEMBL1571689 0.84 EGFR (0.51) EGFRERBB2GPR119TBK1PRKCQ
SCHEMBL1571697 0.83 EGFR (0.50) EGFRERBB2GPR119TBK1PRKCQ
SCHEMBL1573239 0.81 EGFR (0.47) EGFRERBB2TBK1PRKCQWNT1
SCHEMBL1869714 0.80 EGFR (0.49) EGFRERBB2GPR119TBK1PRKCQ
SCHEMBL1571703 0.76 IKBKB (0.43) GPR119TBK1JAK2JAK1TYK2
SCHEMBL13225893 0.76 EGFR (0.40) EGFRERBB2TBK1PRKCQDYRK1A
SCHEMBL1571105 0.75 MKNK1 (0.40) EGFRGPR119TBK1JAK2JAK1
SCHEMBL1570917 0.74 JAK2 (0.42) EGFRGPR119TBK1JAK2JAK1

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
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
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 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 (2 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 EGFR 1733/4885ERBB2 1242/4885GPR119 508/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 EGFR 1053/4885ERBB2 1020/4885GPR119 369/4885

“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.