SCHEMBL3497007

SCHEMBL3497007

O=c1nc(-c2ccccc2)[nH]c2ccc(Br)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.69
ATM Q13315 2/20 0.69
PTGES O14684 2/20 0.52
MAPT P10636 2/20 0.49
TNKS O95271 2/20 0.49
TNKS2 Q9H2K2 2/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
NR1I3 Q14994 1/20 0.49
DCLK1 O15075 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
CSF1R P07333 1/20 0.49
FER P16591 1/20 0.49
CDK2 P24941 1/20 0.49
MARK3 P27448 1/20 0.49
FLT4 P35916 1/20 0.49
FLT3 P36888 1/20 0.49
MAPK9 P45984 1/20 0.49

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
SCHEMBL11309014 0.82 ALDH1A1 (0.59) RXFP1ATMMAPTTNKSTNKS2
SCHEMBL15775265 0.81 MAPT (0.68) RXFP1ATMMAPTTNKSTNKS2
SCHEMBL2823766 0.80 ALDH1A1 (0.64) RXFP1ATMMAPTTNKSTNKS2
SCHEMBL3340103 0.78 ATM (0.63) RXFP1ATMPTGESMAPTTNKS
SCHEMBL3497012 0.77 TNKS (0.70) RXFP1ATMPTGESMAPTTNKS
SCHEMBL30112662 0.77 TNKS (0.70) RXFP1ATMPTGESMAPTTNKS
SCHEMBL11605848 0.76 KDM4E (0.69) RXFP1ATMMAPTDCLK1PRKD3
SCHEMBL9952845 0.76 LMNA (0.49) RXFP1ATMPTGESMAPTPRKD3
SCHEMBL8618963 0.75 ALDH1A1 (0.56) RXFP1ATMMAPTTNKSTNKS2
Biphenyl SCHEMBL28904227 0.75 RXFP1 (0.58) RXFP1ATMMAPTDCLK1PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
EP-2081924-A2 SMALL MOLECULE INHIBITORS OF TOLL-LIKE RECEPTOR 9 Coley Pharmaceutical Group, Inc. (US) 2009-07-29 EP disclosed
WO-2008030455-A2 SMALL MOLECULE INHIBITORS OF TOLL-LIKE RECEPTOR 9 COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-03-13 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 (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-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 TLR9, TLR3, TLR1 RXFP1 2581/4885ATM 608/4885PTGES 869/4885

“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.