SCHEMBL1301657

SCHEMBL1301657

CCc1nc(C#N)c(-c2ccccc2N)n1CCCCNS(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.54
TDP1 Q9NUW8 2/20 0.42
FAAH O00519 3/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
GRK6 P43250 1/20 0.32
HTT P42858 2/20 0.32
NPY5R Q15761 2/20 0.32
USP8 P40818 1/20 0.31
PIK3CD O00329 2/20 0.31

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
SCHEMBL5533572 0.84 TLR7 (0.38) TLR7TDP1FAAHPOLBALDH1A1
SCHEMBL1302453 0.81 TLR7 (0.50) TLR7TDP1POLBALDH1A1KDM4E
SCHEMBL1301971 0.77 TLR7 (0.45) TLR7TDP1
Cpg-52852 SCHEMBL483385 0.70 TLR7 (1.00) TLR7TLR8
Cpg-52852 SCHEMBL29371102 0.70 TLR7 (1.00) TLR7TLR8
SCHEMBL12409397 0.67 TLR7 (0.81) TLR7TDP1POLBTLR8
SCHEMBL3969176 0.67 TLR7 (0.68) TLR7TDP1POLBALDH1A1GAA
SCHEMBL29182347 0.67 TLR7 (0.94) TLR7TLR8
SCHEMBL1301297 0.66 PPARG (0.40) TLR7ALDH1A1KDM4EGAAMAPT
SCHEMBL31581394 0.66 TLR7 (0.68) TLR7TDP1POLBTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US disclosed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US disclosed
EP-1863770-A2 RING CLOSING AND RELATED METHODS AND INTERMEDIATES Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006121528-A2 RING CLOSING AND RELATED METHODS AND INTERMEDIATES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-11-16 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-20110269965-A1 Ring Closing and Related Methods and Intermediates CYP11B1, CYP11B2, CYP2F1 TLR7 4832/4885TDP1 3335/4885FAAH 3657/4885

“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.