SCHEMBL1302082

SCHEMBL1302082

CCCc1nc(C#N)c(N)n1CCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.37
ADORA2A P29274 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
TLR7 Q9NYK1 4/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1301858 0.88 ALDH1A1 (0.37) ADORA1ADORA2AALDH1A1GFERHTT
SCHEMBL1302075 0.87 KDM4E (0.31) ALDH1A1TLR7
SCHEMBL19180241 0.85 TLR7 (0.41) ALDH1A1GFERTLR7HTTMEN1
SCHEMBL4792704 0.76 TLR7 (0.41) ADORA1ADORA2ATLR7
SCHEMBL1302344 0.74
SCHEMBL4793177 0.74 TLR7 (0.42) ADORA1TLR7
SCHEMBL19181354 0.73 MEN1 (0.40) ALDH1A1GFERTLR7HTTMEN1
SCHEMBL30870444 0.72 TLR7 (0.51) TLR7
SCHEMBL584618 0.69 ALDH1A1 (0.44) ALDH1A1GFERTLR7HTTMEN1
SCHEMBL24845214 0.67 BRD4 (0.48) ADORA1ADORA2AHTTKMT2A

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 ADORA1 4657/4885ADORA2A 3758/4885ALDH1A1 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.