SCHEMBL1301869

SCHEMBL1301869

CCCCc1nc(C#N)c(N)n1C(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
TLR7 Q9NYK1 2/20 0.33
TLR8 Q9NR97 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRK6 P43250 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 0.75 TLR7 (0.49) ALDH1A1MAPK1TLR7TLR8KDM4E
SCHEMBL14758128 0.73 TLR7 (0.51) ALDH1A1MAPK1TLR7TLR8KDM4E
SCHEMBL19181982 0.73 TLR7 (0.40) ALDH1A1MAPK1TLR7TLR8KDM4E
SCHEMBL19475180 0.71 ALDH1A1 (0.37) ALDH1A1MAPK1TLR7TLR8KDM4E
SCHEMBL2043569 0.68 MAPK1 (0.38) ALDH1A1MAPK1KDM4EMAPTHPGD
SCHEMBL4590465 0.66
SCHEMBL1300750 0.66 TLR7 (0.41) ALDH1A1MAPK1TLR7KDM4EMAPT
SCHEMBL7320805 0.64 MAPK1 (0.38) ALDH1A1MAPK1TLR7TLR8KDM4E
SCHEMBL1302080 0.64 TLR7 (0.44) ALDH1A1MAPK1TLR7HPGDLMNA
SCHEMBL14758127 0.63 TLR7 (0.47) ALDH1A1MAPK1TLR7TLR8

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 ALDH1A1 420/4885MAPK1 4188/4885TLR7 4832/4885

“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.