SCHEMBL29314722

SCHEMBL29314722

Cn1ccnc1C(=O)NCCn1cc2c(n1)c(N)nc1cc(-c3cc[nH]n3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SYK P43405 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
AR P10275 1/20 0.30
MAPK1 P28482 1/20 0.30
GRM4 Q14833 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL29320672 0.87 TLR8 (0.37) NAMPTTLR8TLR7ARMAPK1
SCHEMBL29314643 0.87 TLR8 (0.34) NAMPTTLR8TLR7
SCHEMBL29320192 0.86 TLR7 (0.39) NAMPTTLR8TLR7
SCHEMBL29314720 0.86 HRH3 (0.34) NAMPTTLR8TLR7
SCHEMBL29320251 0.85 NAMPT (0.36) NAMPTTLR8TLR7KMT2A
SCHEMBL23037710 0.85 TLR7 (0.40) NAMPTTLR8TLR7
SCHEMBL29314704 0.85 NAMPT (0.35) NAMPTTLR8TLR7MAPK1
SCHEMBL29320279 0.85 KDM4E (0.38) TLR8TLR7KMT2A
SCHEMBL29314631 0.85 ABL1 (0.45) NAMPTTLR8TLR7LMNAPOLB
SCHEMBL29320239 0.85 TLR7 (0.41) NAMPTTLR8TLR7POLBKMT2A

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 NAMPT 122/4885TLR8 210/4885TLR7 236/4885

“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.