Sugi Predict

Sugi Predict / Compounds / SCHEMBL5026019

SCHEMBL5026019

SCHEMBL5026019

COc1cc(C#N)c(N=CN(C)C)cc1OC[C@@H]1CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ GLA P06280 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ IKBKE Q14164 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ABL1 P00519 2/20 0.31
▸ SRC P12931 2/20 0.31
▸ ABL2 P42684 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PKM P14618 1/20 0.30

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
SCHEMBL5547462 0.84 GAA (0.42) ALDH1A1SMN1; SMN2MAOAMAOBGAA
SCHEMBL5547466 0.84 GAA (0.42) ALDH1A1SMN1; SMN2MAOAMAOBGAA
SCHEMBL29987308 0.84 GAA (0.42) ALDH1A1SMN1; SMN2MAOAMAOBGAA
SCHEMBL5651729 0.83 SRC (0.40) ALDH1A1MAOAMAOBGAAMAPT
SCHEMBL5651723 0.83 SRC (0.40) ALDH1A1MAOAMAOBGAAMAPT
SCHEMBL5042203 0.82 MAOB (0.34) ALDH1A1SMN1; SMN2MAOAMAOBGAA
SCHEMBL5042200 0.82 MAOB (0.34) ALDH1A1SMN1; SMN2MAOAMAOBGAA
SCHEMBL5025339 0.81 ABL1 (0.47) ABL1SRCABL2
SCHEMBL5025337 0.81 ABL1 (0.47) ABL1SRCABL2
SCHEMBL17922742 0.80 AR (0.39) ALDH1A1SMN1; SMN2MAOAMAOBGAA

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
EP-1299381-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2008-05-07 — — EP disclosed
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 — — WO disclosed
US-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-03-02 — — US disclosed
US-6919338-B2 Substituted quinazoline derivatives and their use as inhibitors of aurora-2 kinase ASTRAZENECA AB (SE) 2005-07-19 — — US disclosed
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2003-10-02 — — US disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 — — EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 — — 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-20060046987-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKB, AURKC ALDH1A1 4418/4885GLA 4105/4885SMN1; SMN2 3417/4885
US-20030187002-A1 Substituted quinazoline derivatives and their use as inhibitors AURKA, AURKC, AURKB ALDH1A1 4009/4885GLA 3875/4885SMN1; SMN2 3412/4885

“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.