SCHEMBL29314416

SCHEMBL29314416

CCNC(=O)Cn1cc2c(n1)c(N)nc1cc(-c3cc[nH]n3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.37
TLR8 Q9NR97 1/20 0.37
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
NLRP3 Q96P20 5/20 0.33
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
KDR P35968 1/20 0.31
TARS1 P26639 1/20 0.31
MAPK1 P28482 1/20 0.30
PIK3CA P42336 1/20 0.30
MAPK8 P45983 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
SCHEMBL29315513 0.90 POLB (0.38) KDM4EALDH1A1MEN1CYP3A4CYP2C9
SCHEMBL30539861 0.90 TLR7 (0.43) TLR7TLR8NLRP3PDE4D
SCHEMBL29315523 0.89 TLR8 (0.32) TLR7TLR8
SCHEMBL29315507 0.88 TLR7 (0.35) TLR7TLR8KDM4EALDH1A1TARS1
SCHEMBL29057286 0.88 TLR7 (0.40) TLR7TLR8AURKAAURKBNLRP3
SCHEMBL29057282 0.87 TLR7 (0.42) TLR7TLR8KDM4EALDH1A1TSHR
SCHEMBL29315533 0.87 MPO (0.38) TLR7TLR8AURKAAURKBNLRP3
SCHEMBL29315519 0.86 MAP4K4 (0.35) TLR7TLR8NLRP3KDR
SCHEMBL29320192 0.85 TLR7 (0.39) TLR7TLR8NLRP3CYP3A4TARS1
SCHEMBL29320220 0.85 TLR8 (0.37) 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 2 patents. 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
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 TLR7 236/4885TLR8 210/4885AURKA 1967/4885

“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.