SCHEMBL2998358

SCHEMBL2998358

CCOC(=O)c1ccc(-c2cncnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
CYP1A2 P05177 2/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAOA P21397 1/20 0.54
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HPGD P15428 5/20 0.49

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
SCHEMBL16351874 0.86 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1965326 0.86 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL2796792 0.83 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL31386126 0.83 PDGFRB (0.54) CA12CA1CA2CA7CA9
SCHEMBL5735824 0.83 MKNK1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL489451 0.82 CYP2C9 (0.62) CA12CA1CA2CA7CA9
Biphenyl SCHEMBL27470971 0.82 CYP2C9 (0.55) CYP1A2LMNAMEN1KMT2AHPGD
SCHEMBL17981447 0.81 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL5556244 0.80 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL16351851 0.80 CA2 (0.66) CA12CA1CA2CA7CA9

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
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
WO-2007031511-A1 NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES SALTIGO GMBH (DE) 2007-03-22 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-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines MON2, ZRANB2, GRIA2 CA12 1754/4885CA1 1518/4885CA2 257/4885

“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.