SCHEMBL29322679

SCHEMBL29322679

CN1CCOC(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.39
PDPK1 O15530 6/20 0.36
AURKB Q96GD4 5/20 0.36
AURKA O14965 3/20 0.36
ROCK1 Q13464 3/20 0.36
CD274 Q9NZQ7 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
HTR1A P08908 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 2/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
SLC22A1 O15245 1/20 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
SCHEMBL29314869 0.89 KDM4E (0.39) MAP4K4DRD2DRD4HTR1AKDM4E
SCHEMBL29314714 0.88 DRD4 (0.39) MAP4K4TLR8TLR7DRD2DRD4
SCHEMBL29314641 0.84 HTR1A (0.40) MAP4K4TLR8TLR7DRD2DRD4
SCHEMBL29320192 0.83 TLR7 (0.39) TLR8TLR7
SCHEMBL26783783 0.82 DRD4 (0.39) MAP4K4DRD2DRD4HTR1AKDM4E
SCHEMBL23037589 0.82 TLR8 (0.38) AURKBTLR8TLR7ABL1
SCHEMBL30539846 0.82 TLR8 (0.38) AURKBTLR8TLR7ABL1
SCHEMBL23037710 0.82 TLR7 (0.40) TLR8TLR7
SCHEMBL29057286 0.81 TLR7 (0.40) PDPK1AURKBAURKATLR8TLR7
SCHEMBL29057282 0.81 TLR7 (0.42) TLR8TLR7KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 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 (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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD MAP4K4 2159/4885PDPK1 1801/4885AURKB 758/4885

“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.