SCHEMBL1572268

SCHEMBL1572268

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.43
JAK2 O60674 3/20 0.42
JAK3 P52333 3/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
IKBKB O14920 1/20 0.42
KDM1A O60341 1/20 0.39
EGFR P00533 3/20 0.39
GPR119 Q8TDV5 4/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
PTK2 Q05397 2/20 0.38

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
SCHEMBL1570314 0.91 IKBKB (0.45) IGF1RJAK2JAK3JAK1TYK2
SCHEMBL1570949 0.91 TBK1 (0.46) IGF1RJAK2JAK3JAK1TYK2
SCHEMBL1572127 0.90 EGFR (0.46) IGF1RJAK2JAK3JAK1TYK2
SCHEMBL1872243 0.89 GPR119 (0.44) IGF1RJAK2JAK3JAK1TYK2
SCHEMBL13336352 0.87 JAK2 (0.44) IGF1RJAK2JAK3JAK1TYK2
SCHEMBL12671155 0.86 IKBKB (0.43) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL1571689 0.86 EGFR (0.51) IGF1RJAK2JAK3JAK1TYK2
SCHEMBL12671571 0.85 IGF1R (0.40) IGF1RJAK2JAK3JAK1TYK2
SCHEMBL3320675 0.85 CHEK2 (0.47) IGF1RJAK2JAK3IKBKBGPR119
SCHEMBL1633896 0.83 TBK1 (0.48) IGF1RJAK2EGFRGPR119CDK4

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 11 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
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
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 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 IGF1R 542/4885JAK2 1361/4885JAK3 2049/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 IGF1R 364/4885JAK2 1056/4885JAK3 1979/4885

“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.