SCHEMBL19475180

SCHEMBL19475180

C=CCn1c(CCCC)nc(C#N)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 4/20 0.35
HSD17B10 Q99714 4/20 0.35
TLR7 Q9NYK1 4/20 0.34
TP53 P04637 1/20 0.34
TLR8 Q9NR97 1/20 0.33
LMNA P02545 3/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 4/20 0.32
HPGD P15428 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 2/20 0.32
GRK6 P43250 1/20 0.32
FPR1 P21462 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 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
SCHEMBL19475484 0.83 ALDH1A1 (0.37) ALDH1A1MAPK1MAPTHSD17B10TLR7
SCHEMBL1302206 0.79 TLR7 (0.49) ALDH1A1MAPK1MAPTHSD17B10TLR7
SCHEMBL19181982 0.77 TLR7 (0.40) ALDH1A1MAPK1MAPTHSD17B10TLR7
SCHEMBL14758128 0.77 TLR7 (0.51) ALDH1A1MAPK1MAPTHSD17B10TLR7
SCHEMBL1301869 0.71 ALDH1A1 (0.39) ALDH1A1MAPK1MAPTHSD17B10TLR7
SCHEMBL19475450 0.71 TLR7 (0.43) TLR7TLR8
SCHEMBL1300750 0.70 TLR7 (0.41) ALDH1A1MAPK1MAPTHSD17B10TLR7
SCHEMBL19180241 0.67 TLR7 (0.41) ALDH1A1MAPTTLR7TLR8LMNA
SCHEMBL2043569 0.66 MAPK1 (0.38) ALDH1A1MAPK1MAPTHSD17B10TP53
SCHEMBL128 0.66 TLR7 (0.49) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127368-A1 NLRP3 MODULATORS IFM THERAPEUTICS INC (US) 2019-05-02 US disclosed
US-20190127368-A1 NLRP3 MODULATORS IFM THERAPEUTICS INC (US) 2019-05-02 US disclosed
WO-2017184735-A1 NLRP3 MODULATORS IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
WO-2017184735-A1 NLRP3 MODULATORS IFM THERAPEUTICS, INC (US) 2017-10-26 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-20190127368-A1 NLRP3 MODULATORS NLRP3, TLR7, TLR8 ALDH1A1 3322/4885MAPK1 677/4885MAPT 507/4885

“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.