Sugi Predict

Sugi Predict / Compounds / SCHEMBL1571965

SCHEMBL1571965

SCHEMBL1571965

Cn1cc(-c2cc(OCCNC(=O)OC(C)(C)C)cc([N+](=O)[O-])c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CA12 O43570 4/20 0.42
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ RET P07949 1/20 0.40
▸ PDK2 Q15119 3/20 0.40
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ IRAK1 P51617 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL1571180 0.84 GSK3B (0.46) GSK3BDYRK1ACA12CA1CA2
SCHEMBL1572958 0.83 GSK3B (0.42) GSK3BDYRK1ARETMAPTGAA
SCHEMBL1573943 0.83 GSK3B (0.42) GSK3BDYRK1ARETMAPTGAA
SCHEMBL1572960 0.83 GSK3B (0.42) GSK3BDYRK1ARETMAPTGAA
SCHEMBL1571371 0.78 PTGS2 (0.45) GSK3BDYRK1APDK2MAPTGAA
SCHEMBL1571346 0.78 CA12 (0.50) CA12CA1CA2CA9PDK2
SCHEMBL1571761 0.77 PDK2 (0.47) PDK2MAPTMEN1KMT2AERN1
SCHEMBL1877328 0.76 ERN1 (0.38) GSK3BDYRK1AMAPTMEN1KMT2A
SCHEMBL1877330 0.76 ERN1 (0.38) GSK3BDYRK1AMAPTMEN1KMT2A
SCHEMBL30301021 0.74 CA12 (0.51) CA12CA1CA2CA9PDK2

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 7 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-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
EP-2125755-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis Ag (CH) 2009-12-02 — — EP 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 GSK3B 406/4885DYRK1A 748/4885CA12 4804/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 GSK3B 340/4885DYRK1A 1286/4885CA12 4664/4885

“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.