SCHEMBL1301797

SCHEMBL1301797

CCCc1nc(C#N)c(I)n1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE10A Q9Y233 1/20 0.30
MAPK1 P28482 1/20 0.30
PPARG P37231 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
SCHEMBL1300750 0.82 TLR7 (0.41) TLR7ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19181987 0.80 ALDH1A1 (0.36) TLR7ALDH1A1MAPTMAPK1
SCHEMBL4590672 0.75 ALDH1A1 (0.31) TLR7ALDH1A1MAPK1PPARG
SCHEMBL1302080 0.74 TLR7 (0.44) TLR7ALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL1302206 0.74 TLR7 (0.49) TLR7ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1301297 0.72 PPARG (0.40) TLR7ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19475484 0.70 ALDH1A1 (0.37) TLR7ALDH1A1LMNAMAPTMAPK1
SCHEMBL4590835 0.67
SCHEMBL1302344 0.67
SCHEMBL1301770 0.65 TLR7 (0.46) TLR7ALDH1A1LMNAMAPTSMN1; SMN2

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 9 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
WO-2007143526-A2 SUBSTITUTED TETRAHYDROIMIDAZONAPHTHYRIDINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-12-13 WO 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 4832/4885ALDH1A1 420/4885LMNA 774/4885

“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.