Sugi Predict

Sugi Predict / Compounds / SCHEMBL112806

SCHEMBL112806

SCHEMBL112806

CC(C)Oc1cncc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.36
▸ CHRNB2 P17787 3/20 0.36
▸ CHRNA4 P43681 3/20 0.36
▸ LPL P06858 6/20 0.35
▸ LIPG Q9Y5X9 6/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ PIK3CD O00329 1/20 0.33
▸ PIP5K1C O60331 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ CHRNB4 P30926 2/20 0.32
▸ CHRNA3 P32297 2/20 0.32

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
SCHEMBL31651716 1.00 AAK1 (0.36) AAK1CHRNB2CHRNA4LPLLIPG
SCHEMBL4171200 0.88 AAK1 (0.35) AAK1LPLLIPGCA1CA2
SCHEMBL29990311 0.86 AAK1 (0.38) AAK1LPLLIPGCA1CA2
SCHEMBL2067468 0.86 AAK1 (0.38) AAK1LPLLIPGCA1CA2
SCHEMBL2066745 0.82 AAK1 (0.36) AAK1LPLLIPGCA1CA2
SCHEMBL16052301 0.82 LPL (0.40) AAK1LPLLIPGCA1CA2
SCHEMBL29487604 0.82 SNCA (0.42) AAK1LPLLIPGCA1CA2
SCHEMBL182869 0.82 SNCA (0.42) AAK1LPLLIPGCA1CA2
SCHEMBL12984011 0.80 CHRNB2 (0.32) CHRNB2CHRNA4CYP11B1CYP11B2PIK3CD
SCHEMBL13029000 0.80 CHRNB2 (0.32) CHRNB2CHRNA4CYP11B1CYP11B2PIK3CD

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945938-A1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-11-25 — — EP disclosed
WO-2014111496-A1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-24 — — WO disclosed
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 — — US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 — — US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 — — US disclosed
EP-2438063-A1 1H-IMIDAZO[4,5-C]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-04-11 — — EP disclosed
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 — — EP disclosed
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 — — US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 — — US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 — — US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 — — US disclosed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 — — WO disclosed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 — — WO disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 — — WO disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 — — EP disclosed
WO-2010106016-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2010-09-23 — — WO disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 — — WO disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — 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 (5 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-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 AAK1 126/4885CHRNB2 4351/4885CHRNA4 2703/4885
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK AAK1 204/4885CHRNB2 4786/4885CHRNA4 4811/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 AAK1 1365/4885CHRNB2 3774/4885CHRNA4 961/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 AAK1 136/4885CHRNB2 4227/4885CHRNA4 2609/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 AAK1 136/4885CHRNB2 4227/4885CHRNA4 2609/4885

“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.