SCHEMBL1869714

SCHEMBL1869714

CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4cccc(-c5cnco5)c4)ncc3cc2C#CCO)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.49
ERBB2 P04626 5/20 0.49
TBK1 Q9UHD2 1/20 0.42
PRKCQ Q04759 1/20 0.41
GPR119 Q8TDV5 6/20 0.41
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
WNT1 P04628 1/20 0.38
JAK2 O60674 2/20 0.38
JAK3 P52333 2/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
TGFBR1 P36897 1/20 0.37
PTK2 Q05397 1/20 0.36

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
SCHEMBL1571697 0.92 EGFR (0.50) EGFRERBB2TBK1PRKCQGPR119
SCHEMBL1573307 0.91 EGFR (0.51) EGFRERBB2TBK1PRKCQGSK3B
SCHEMBL1571689 0.87 EGFR (0.51) EGFRERBB2TBK1PRKCQGPR119
SCHEMBL1871547 0.83 EGFR (0.46) EGFRERBB2TBK1PRKCQGPR119
SCHEMBL1867720 0.80 EGFR (0.46) EGFRERBB2TBK1PRKCQGPR119
SCHEMBL1570915 0.78 TBK1 (0.43) EGFRERBB2TBK1GPR119JAK2
SCHEMBL1570681 0.76 GRM5 (0.40) EGFRTBK1GPR119JAK2JAK3
SCHEMBL1872243 0.76 GPR119 (0.44) EGFRERBB2GPR119GSK3BDYRK1A
SCHEMBL12671569 0.76 JAK2 (0.38) EGFRERBB2TBK1JAK2JAK3
SCHEMBL13362934 0.75 JAK2 (0.42) EGFRTBK1GPR119JAK2JAK3

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 1242/4885TBK1 493/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 EGFR 1053/4885ERBB2 1020/4885TBK1 792/4885

“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.