SCHEMBL29314645

SCHEMBL29314645

COc1ccc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)nn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.35
TLR8 Q9NR97 1/20 0.35
NAMPT P43490 11/20 0.33
MAPT P10636 2/20 0.32
P2RX7 Q99572 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
ACR P10323 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 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
SCHEMBL29320641 0.91 TLR8 (0.35) TLR7TLR8NAMPTMTNR1AMTNR1B
SCHEMBL29314661 0.89 CFTR (0.40) TLR7TLR8NAMPTMAPTACR
SCHEMBL29314679 0.88 P2RX7 (0.35) TLR7TLR8NAMPTP2RX7
SCHEMBL29314642 0.88 TLR8 (0.36) TLR7TLR8NAMPTMAPTP2RX7
SCHEMBL29314715 0.87 MAPT (0.36) TLR7TLR8NAMPTMAPTP2RX7
SCHEMBL29320623 0.87 TLR7 (0.36) TLR7TLR8NAMPTALDH1A1
SCHEMBL29314628 0.87 NPC1 (0.38) NAMPTMAPTALDH1A1GAA
SCHEMBL29314637 0.87 TLR7 (0.35) TLR7TLR8NAMPTALDH1A1GAA
SCHEMBL29314704 0.87 NAMPT (0.35) TLR7TLR8NAMPTMAPTMAPK1
SCHEMBL29320192 0.86 TLR7 (0.39) TLR7TLR8NAMPTMTNR1AMTNR1B

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 210/4885NAMPT 122/4885

“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.