SCHEMBL182796

SCHEMBL182796

COc1cc(B(O)O)ccc1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 5/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
PDK2 Q15119 1/20 0.41
GAA P10253 1/20 0.40
SCN9A Q15858 1/20 0.40
IDO1 P14902 1/20 0.40
AXL P30530 1/20 0.40

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
SCHEMBL182645 0.96 CA12 (0.46) CA12CA1CA2CA9MTNR1A
SCHEMBL22804333 0.86 CA12 (0.46) CA12CA1CA2CA9L3MBTL1
SCHEMBL29366962 0.86 CA12 (0.46) CA12CA1CA2CA9L3MBTL1
SCHEMBL21601225 0.83 AXL (0.50) CA12CA1CA2CA9MTNR1A
SCHEMBL21601499 0.83 IDO1 (0.52) CA12CA1CA2CA9MTNR1A
SCHEMBL1531272 0.83 CA12 (0.50) CA12CA1CA2CA9MTNR1A
SCHEMBL15595608 0.82 MGLL (0.53) CA12CA1CA2CA9MTNR1A
SCHEMBL15573936 0.82 TSHR (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL18570122 0.82 KMT2A (0.51) CA12CA1CA2CA9MTNR1A
SCHEMBL28350963 0.81 CA12 (0.46) CA12CA1CA2CA9MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 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 (1 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-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA CA12 4848/4885CA1 4866/4885CA2 3766/4885

“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.