SCHEMBL29315570

SCHEMBL29315570

CN1CCN(C(=O)Cn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 17/20 0.40
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL26792311 0.92 CCNC (0.34) IRAK4CCNCCDK8TLR8TLR7
SCHEMBL29315499 0.90 SMN1; SMN2 (0.38) IRAK4CCNCCDK8
SCHEMBL29329331 0.87 KDM1A (0.35) TLR8TLR7
SCHEMBL29315545 0.86 GRIN2B (0.36) CCNCCDK8TLR8TLR7
SCHEMBL29315543 0.86 GRIN2B (0.34) IRAK4CCNCCDK8TLR8TLR7
SCHEMBL29315444 0.86 PDE3B (0.36) IRAK4
SCHEMBL29315539 0.86 GRIN2B (0.36)
SCHEMBL29315533 0.84 MPO (0.38) TLR8TLR7
SCHEMBL29315531 0.83 JAK1 (0.39)
SCHEMBL29314416 0.81 TLR7 (0.37) TLR8TLR7

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 IRAK4 15/4885CCNC 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.