SCHEMBL8378351

SCHEMBL8378351

Bc1ccc(Oc2nc(N(C)CCO)ccc2C#N)cc1C=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
SCN9A Q15858 1/20 0.32
HPGD P15428 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
MCHR2 Q969V1 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
SCHEMBL2527197 0.88 GPR119 (0.33) CYP1A2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL8378384 0.82 PDE4B (0.34)
SCHEMBL11994564 0.78 CYP2C19 (0.33) CYP1A2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL8376826 0.77 KDM4E (0.41) CYP1A2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL8010938 0.74
SCHEMBL2531701 0.74 GPR119 (0.36) CYP1A2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL2531559 0.73 GPR119 (0.30) GPR119
SCHEMBL11994825 0.72 SCN9A (0.34) SCN9AHPGDKDM4EALDH1A1
SCHEMBL2531888 0.72 PDE4B (0.57)
SCHEMBL2529972 0.72 PDE4B (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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 (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-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CYP1A2 4597/4885CYP2C19 4863/4885CYP2C9 4844/4885

“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.