SCHEMBL29315545

SCHEMBL29315545

COC1CN(C(=O)Cn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.36
CCNC P24863 5/20 0.35
CDK8 P49336 5/20 0.35
CDK19 Q9BWU1 2/20 0.35
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
TLR9 Q9NR96 1/20 0.33
PIK3CA P42336 1/20 0.32
KDM1A O60341 2/20 0.32
ATR Q13535 2/20 0.32
GRIN1 Q05586 1/20 0.31
JAK1 P23458 1/20 0.31
JAK2 O60674 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
ALOX5AP P20292 1/20 0.30
GRM2 Q14416 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
SCHEMBL29315539 0.90 GRIN2B (0.36) GRIN2B
SCHEMBL26792311 0.87 CCNC (0.34) GRIN2BCCNCCDK8TLR8TLR7
SCHEMBL29329331 0.87 KDM1A (0.35) GRIN2BTLR8TLR7KDM1AJAK1
SCHEMBL29315570 0.86 IRAK4 (0.40) CCNCCDK8TLR8TLR7
SCHEMBL29315543 0.85 GRIN2B (0.34) GRIN2BCCNCCDK8TLR8TLR7
SCHEMBL29315499 0.85 SMN1; SMN2 (0.38) CCNCCDK8JAK2
SCHEMBL29315531 0.83 JAK1 (0.39) GRIN2BKDM1AJAK1JAK2
SCHEMBL29315533 0.83 MPO (0.38) TLR8TLR7
SCHEMBL29314416 0.80 TLR7 (0.37) TLR8TLR7PIK3CA
SCHEMBL29315507 0.79 TLR7 (0.35) GRIN2BTLR8TLR7

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 GRIN2B 1288/4885CCNC 4144/4885CDK8 3965/4885

“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.