SCHEMBL1571689

SCHEMBL1571689

CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4cccc(-c5cnco5)c4)ncc3cc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.51
ERBB2 P04626 4/20 0.51
GPR119 Q8TDV5 10/20 0.44
PRKCQ Q04759 1/20 0.43
TBK1 Q9UHD2 1/20 0.42
WNT1 P04628 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
IGF1R P08069 1/20 0.40
IKBKB O14920 1/20 0.40

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
SCHEMBL1872243 0.88 GPR119 (0.44) EGFRERBB2GPR119GSK3BDYRK1A
SCHEMBL1571697 0.88 EGFR (0.50) EGFRERBB2GPR119PRKCQTBK1
SCHEMBL1869714 0.87 EGFR (0.49) EGFRERBB2GPR119PRKCQTBK1
SCHEMBL1570314 0.86 IKBKB (0.45) EGFRERBB2GPR119JAK2JAK1
SCHEMBL1570949 0.86 TBK1 (0.46) EGFRGPR119TBK1JAK2JAK1
SCHEMBL1572268 0.86 IGF1R (0.43) EGFRGPR119JAK2JAK1TYK2
SCHEMBL1572127 0.85 EGFR (0.46) EGFRJAK2JAK1TYK2JAK3
SCHEMBL1871547 0.84 EGFR (0.46) EGFRERBB2GPR119PRKCQTBK1
SCHEMBL1867720 0.84 EGFR (0.46) EGFRERBB2GPR119PRKCQTBK1
SCHEMBL13336352 0.84 JAK2 (0.44) EGFRJAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US 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
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 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 (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.