SCHEMBL4290819

SCHEMBL4290819

CC(C)CN(CCO)CCCC[O]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 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
SCHEMBL3424589 0.94 CA12 (0.34) CA12CA1CA2CA9MAPT
SCHEMBL4290820 0.85 MAPT (0.36) CA12CA1CA2CA9MAPT
SCHEMBL3427669 0.83 MAPT (0.38) CA12CA1CA2CA9MAPT
SCHEMBL339998 0.82 MAPT (0.45) CA12CA1CA2CA9MAPT
SCHEMBL11210027 0.79 MAPT (0.46) CA12CA1CA2CA9MAPT
SCHEMBL7927848 0.79 ALDH1A1 (0.36) CA12CA1CA2CA9MAPT
SCHEMBL9641431 0.79 MAPT (0.38) CA12CA1CA2CA9MAPT
SCHEMBL21359044 0.78 CYP1A2 (0.37) CA12CA1CA2CA9MAPT
SCHEMBL557796 0.78 MAPT (0.45) CA12CA1CA2CA9MAPT
SCHEMBL11212686 0.78 MAPT (0.33) CA12CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP claimed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US claimed
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-7405231-B2 Anticancer agents; inhibitors of the HER-signaling pathway with decreased toxicity, better solubility and improved pharmacokinetic profile; e.g. 1-[4-(4-(2-[(E)-2-(4-Methanesulfinyl-phenyl)-vinyl]-oxazol-4-ylmethoxy)-phenyl)-butyl]-1H-[1,2,3]triazole HOFFMANN-LA ROCHE INC. (US) 2008-07-29 US disclosed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US disclosed
EP-1725551-A1 OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005095393-A1 OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 WO disclosed
US-20050203064-A1 Novel oxidized thioether derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 US disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 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 (3 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-20050203064-A1 Novel oxidized thioether derivatives SULT1E1, CYP4F3, GPX4 CA12 3628/4885CA1 4394/4885CA2 4296/4885
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB CA12 4148/4885CA1 4287/4885CA2 1491/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB CA12 4429/4885CA1 4300/4885CA2 2163/4885

“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.