SCHEMBL2163044

SCHEMBL2163044

CNc1ncc(-c2ccc(O)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
RIPK1 Q13546 4/20 0.41
TBK1 Q9UHD2 1/20 0.40
SCN5A Q14524 1/20 0.40
USP7 Q93009 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2163489 0.82 BACE1 (0.44) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL2162183 0.76 MAPT (0.49) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL28559389 0.76 CYP2A6 (0.53) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL2162242 0.75 NPY5R (0.50) RIPK1SCN5ANPC1RAB9AMAPK1
SCHEMBL1180501 0.73 SCN2A (0.64) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL18130901 0.72 MASP2 (0.66) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL10570142 0.72 CDK5 (0.43) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL12601799 0.71 HTR6 (0.46) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL30527102 0.71 SCN5A (0.40) GSK3BSCN5ANPY5R
SCHEMBL31327476 0.68 SCN10A (0.47) CCNB2CDK1CCNB1GSK3AGSK3B

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
EP-2513064-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS UNIV LEUVEN KATH (BE) 2018-07-04 EP claimed
US-8906915-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-12-09 US claimed
US-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-01-31 US claimed
EP-2513064-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-10-24 EP claimed
WO-2011080132-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-07-07 WO claimed

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-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS AZI2, NOD1, AADAC CCNB2 2705/4885CDK1 1701/4885CCNB1 2628/4885

“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.