SCHEMBL2162242

SCHEMBL2162242

CNc1ncc(-c2ccc(F)c(F)c2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.50
NOTUM Q6P988 1/20 0.44
SCN5A Q14524 1/20 0.40
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
ABL1 P00519 1/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SSTR3 P32745 1/20 0.35
KCNH2 Q12809 1/20 0.35
RIPK1 Q13546 1/20 0.35
BACE1 P56817 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34

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 0.81 BACE1 (0.44) SCN5ASSTR3BACE1NPC1POLB
SCHEMBL2163044 0.75 CCNB2 (0.44) NPY5RSCN5ARIPK1NPC1POLB
SCHEMBL24368238 0.71 ADORA2A (0.49) SCN5ANPC1POLBRAB9AL3MBTL1
SCHEMBL2162183 0.69 MAPT (0.49) NPC1POLBMAPK1RAB9AGFER
SCHEMBL20049978 0.65 CHRNA7 (0.45) PDGFRBPDGFRAGRIN1GRIN2BCYP17A1
SCHEMBL6196932 0.65 NOTUM (0.56) NPY5RNOTUMGRIN1GRIN2BCYP17A1
SCHEMBL19443344 0.64 NPY5R (0.46) NPY5R
SCHEMBL31403025 0.63 POLB (0.63) NOTUMCYP11B1CYP11B2POLBCYP2C9
Hydrochloric Acid SCHEMBL6196067 0.63 NOTUM (0.54) NPY5RNOTUMGRIN1GRIN2BCYP17A1
SCHEMBL13741967 0.62 CYP17A1 (0.52) NOTUMPDGFRBPDGFRACYP17A1CYP11B1

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 NPY5R 1660/4885NOTUM 2835/4885SCN5A 2903/4885

“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.