SCHEMBL2163489

SCHEMBL2163489

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
FYN P06241 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
KIT P10721 1/20 0.41
SSTR3 P32745 1/20 0.40
IKBKB O14920 1/20 0.39

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
SCHEMBL2163044 0.82 CCNB2 (0.44) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL2162242 0.81 NPY5R (0.50) BACE1ALDH1A1GFERPOLBSSTR3
SCHEMBL14656510 0.77 BCHE (0.40) BACE1ALDH1A1MAPTHPGDGFER
SCHEMBL25833583 0.76 PDE10A (0.47) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL2162183 0.76 MAPT (0.49) ALDH1A1MAPTHPGDGFERSMN1; SMN2
SCHEMBL7483325 0.76 CYP2A6 (0.53) BACE1CCNB2CDK1CCNB1GSK3A
SCHEMBL14656518 0.75 KCNH3 (0.43) BACE1ALDH1A1MAPTHPGDGFER
SCHEMBL8221175 0.72 MASP2 (0.66) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL19390585 0.71 PDE10A (0.49) ALDH1A1MAPTHPGDGFERSMN1; SMN2
SCHEMBL17516278 0.71 ALDH1A1 (0.42) 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 BACE1 2000/4885CCNB2 2705/4885CDK1 1701/4885

“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.