SCHEMBL22017902

SCHEMBL22017902

COc1ccc(Cn2c(CCCOCc3ccccc3)nc3cnc4cc(-c5ccccc5)ccc4c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.47
TLR7 Q9NYK1 4/20 0.46
PPARG P37231 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DHODH Q02127 1/20 0.39
LMNA P02545 2/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL19475350 0.90 TLR7 (0.46) PIK3CDTLR7L3MBTL1TDP1MEN1
SCHEMBL20970301 0.85 TLR7 (0.64) TLR7
SCHEMBL28900436 0.82 TLR7 (0.42) PIK3CDTLR7PPARGL3MBTL1TDP1
SCHEMBL30598827 0.82 TLR7 (0.42) PIK3CDTLR7PPARGL3MBTL1TDP1
SCHEMBL21557871 0.82 PDE4A (0.46) TLR7L3MBTL1TDP1MEN1KMT2A
SCHEMBL30598857 0.82 PDE4A (0.46) TLR7L3MBTL1TDP1MEN1KMT2A
SCHEMBL19503120 0.79 TLR7 (0.49) TLR7MEN1KMT2AALDH1A1
SCHEMBL30598840 0.77 TLR7 (0.39) PIK3CDTLR7PPARGL3MBTL1TDP1
SCHEMBL21566256 0.77 TLR7 (0.39) PIK3CDTLR7PPARGL3MBTL1TDP1
SCHEMBL21550372 0.76 PDE4A (0.43) TLR7L3MBTL1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072612-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2021-07-27 US disclosed
US-20200157097-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-05-21 US 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 (2 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-11072612-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 PIK3CD 2473/4885TLR7 161/4885PPARG 2177/4885
US-20200157097-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 PIK3CD 2473/4885TLR7 161/4885PPARG 2177/4885

“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.