SCHEMBL1302080

SCHEMBL1302080

CCCCc1nc(C#N)c(Br)n1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.44
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RGS4 P49798 1/20 0.30
RGS8 P57771 1/20 0.30

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
SCHEMBL1302206 0.83 TLR7 (0.49) TLR7MAPK1ALDH1A1GLALMNA
SCHEMBL1300750 0.74 TLR7 (0.41) TLR7MAPK1ALDH1A1LMNAHPGD
SCHEMBL1301770 0.73 TLR7 (0.46) TLR7MAPK1ALDH1A1GLALMNA
SCHEMBL19181987 0.72 ALDH1A1 (0.36) TLR7MAPK1ALDH1A1GLA
SCHEMBL19181982 0.72 TLR7 (0.40) TLR7MAPK1ALDH1A1GLALMNA
SCHEMBL19475484 0.65 ALDH1A1 (0.37) TLR7MAPK1ALDH1A1GLALMNA
SCHEMBL19475180 0.65 ALDH1A1 (0.37) TLR7MAPK1ALDH1A1GLALMNA
SCHEMBL14758127 0.65 TLR7 (0.47) TLR7MAPK1ALDH1A1GLA
SCHEMBL1301297 0.64 PPARG (0.40) TLR7MAPK1ALDH1A1LMNAHPGD
SCHEMBL14758128 0.64 TLR7 (0.51) TLR7MAPK1ALDH1A1GLAHPGD

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 4832/4885MAPK1 4188/4885ALDH1A1 420/4885

“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.