SCHEMBL4411003

SCHEMBL4411003

Cc1onc(NC(=O)OC(C)(C)C)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CYP17A1 P05093 1/20 0.34
ATR Q13535 1/20 0.34
PSMB8 P28062 1/20 0.33
GABRA5 P31644 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC10 Q969S8 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LCK P06239 2/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL3175510 0.81 CA1 (0.36) CA1CA2CA12CA9CYP17A1
SCHEMBL5320893 0.79 CA1 (0.35) CA1CA2CA12CA9CYP17A1
SCHEMBL24049964 0.79 KDM4E (0.49) CA1CA2CA12CA9CYP17A1
SCHEMBL5347897 0.79 CA1 (0.36) CA1CA2CA12CA9CYP17A1
SCHEMBL31319651 0.77 GABRA5 (0.36) CA1CA2CA12CA9CYP17A1
SCHEMBL29953477 0.77 CA1 (0.33) CA1CA2CA12CA9CYP17A1
SCHEMBL16245642 0.73 CA1 (0.35) CA1CA2CA12CA9CYP17A1
SCHEMBL10298270 0.71 ATR (0.46) CA1CA2CA12CA9CYP17A1
SCHEMBL24049966 0.71 AAK1 (0.36) CA1CA2CA12CA9PSMB8
SCHEMBL27042890 0.71 CYP17A1 (0.34) CA1CA2CA12CA9CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20090264446-A9 Condensed Pyridines as Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2009-10-22 US disclosed
US-20080318977-A1 Condensed Pyridines as Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2008-12-25 US disclosed
EP-1833828-A2 CONDENSED PYRIDINES AS KINASE INHIBITORS Palau Pharma, S.A. (ES) 2007-09-19 EP disclosed
WO-2006013095-A2 CONDENSED PYRIDINES AS KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2006-02-09 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-20090264446-A9 Condensed Pyridines as Kinase Inhibitors MAPK1, MAP4K2, MAP3K1 CA1 3352/4885CA2 2864/4885CA12 4806/4885
US-20080318977-A1 Condensed Pyridines as Kinase Inhibitors MAPK1, MAP4K2, MAP3K1 CA1 3352/4885CA2 2864/4885CA12 4806/4885

“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.