SCHEMBL4233728

SCHEMBL4233728

CN(C)CC#Cc1cccc(-c2cnc(N)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.47
CYP2A6 P11509 1/20 0.45
PIKFYVE Q9Y2I7 3/20 0.40
MAPK14 Q16539 1/20 0.39
ITK Q08881 1/20 0.39
STK16 O75716 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
MYLK Q15746 1/20 0.38
MAP3K19 Q56UN5 1/20 0.38
MYLK4 Q86YV6 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
HASPIN Q8TF76 1/20 0.38
AURKB Q96GD4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
ASIC3 Q9UHC3 2/20 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
Hydrochloric Acid SCHEMBL4298932 0.99 MASP2 (0.46) MASP2CYP2A6PIKFYVEMAPK14ITK
SCHEMBL19513444 0.76 MASP2 (0.57) MASP2CLK4NPY5R
SCHEMBL13664752 0.75 MASP2 (0.53) MASP2AURKBSCN9ASCN4ASCN3A
SCHEMBL13663128 0.74 MASP2 (0.49) MASP2ASIC3SCN9ASCN4ASCN3A
SCHEMBL13242886 0.72 CYP2A6 (0.51) CYP2A6PIKFYVEMAPK14ASIC3FGFR3
SCHEMBL20169745 0.70 MASP2 (0.62) MASP2SCN9ASCN4ASCN3ANPY5R
SCHEMBL4056971 0.70 MASP2 (0.67) MASP2DYRK1BSCN9ASCN4ASCN3A
SCHEMBL4343305 0.69 IKBKB (0.41) CYP2A6MAPK14FGFR3KDR
SCHEMBL1241934 0.69 CYP2A6 (0.51) CYP2A6MAPK14ITKGRM5
Hydrochloric Acid SCHEMBL4053943 0.69 MASP2 (0.65) MASP2DYRK1BSCN9ASCN4ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975857-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2018-05-22 US disclosed
US-9975857-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2018-05-22 US disclosed
US-9975857-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2018-05-22 US disclosed
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2015-07-02 US disclosed
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2015-07-02 US disclosed
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2015-07-02 US disclosed
US-9005643-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-04-14 US disclosed
US-9005643-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-04-14 US disclosed
US-9005643-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-04-14 US disclosed
US-20090270475-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-29 US disclosed
US-20090270475-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-29 US disclosed
WO-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 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 (2 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-20090270475-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS MASP2 774/4885CYP2A6 3544/4885PIKFYVE 366/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS MASP2 774/4885CYP2A6 3544/4885PIKFYVE 366/4885

“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.