SCHEMBL13664752

SCHEMBL13664752

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.53
AURKA O14965 2/20 0.47
AURKB Q96GD4 2/20 0.47
INCENP Q9NQS7 2/20 0.47
TPX2 Q9ULW0 2/20 0.47
CHUK O15111 1/20 0.46
INSR P06213 1/20 0.46
MAPK8 P45983 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
SLC2A1 P11166 1/20 0.45
PARP1 P09874 1/20 0.44
HTR7 P34969 1/20 0.43
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
S1PR1 P21453 1/20 0.40
NOS1 P29475 3/20 0.39
AOC3 Q16853 1/20 0.39
MGMT P16455 1/20 0.39
NOS2 P35228 1/20 0.38
CHRNB2 P17787 1/20 0.38

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
SCHEMBL20169745 0.75 MASP2 (0.62) MASP2SCN4ASCN9ASCN3ALTA4H
SCHEMBL4233728 0.75 MASP2 (0.47) MASP2AURKBSCN4ASCN9ASCN3A
SCHEMBL4056971 0.75 MASP2 (0.67) MASP2SCN4ASCN9ASCN3ALTA4H
Hydrochloric Acid SCHEMBL7811954 0.75 NPY5R (0.56) AURKAAURKBINCENPTPX2SLC2A1
Hydrochloric Acid SCHEMBL4298932 0.74 MASP2 (0.46) MASP2AURKBSCN4ASCN9ASCN3A
Hydrochloric Acid SCHEMBL4053943 0.73 MASP2 (0.65) MASP2SCN4ASCN9ASCN3ALTA4H
SCHEMBL20169739 0.72 MASP2 (0.62) MASP2SCN4ASCN9ASCN3ALTA4H
SCHEMBL19501567 0.72 MASP2 (0.62) MASP2SCN4ASCN9ASCN3ALTA4H
SCHEMBL16324218 0.72 NPY5R (0.60) MASP2LTA4H
SCHEMBL27987769 0.71 HTR7 (0.48) AURKAAURKBINCENPTPX2CHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270475-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-29 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-20090270475-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS MASP2 774/4885AURKA 2167/4885AURKB 1589/4885

“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.