SCHEMBL29314692

SCHEMBL29314692

COc1ccccc1C(=O)NCCn1cc2c(n1)c(N)nc1cc(-c3cc[nH]n3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
CFTR P13569 2/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
BRD4 O60885 2/20 0.38
CDC7 O00311 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL29314682 0.89 TLR8 (0.37) TLR8TLR7BRD4KDM4ELMNA
SCHEMBL29320239 0.87 TLR7 (0.41) ABL1BCRTLR8TLR7ALDH1A1
SCHEMBL29314628 0.86 NPC1 (0.38) ABL1BCRCFTRALDH1A1KDM4E
SCHEMBL29314631 0.86 ABL1 (0.45) ABL1BCRTLR8TLR7ALDH1A1
SCHEMBL29314690 0.85 RAB9A (0.42) CFTRALDH1A1CDC7MAP4K4CDK2
SCHEMBL29320641 0.85 TLR8 (0.35) TLR8TLR7MAP4K4
SCHEMBL29320192 0.85 TLR7 (0.39) TLR8TLR7
SCHEMBL29314645 0.85 TLR7 (0.35) MAPK1TLR8TLR7ALDH1A1GAA
SCHEMBL29320672 0.85 TLR8 (0.37) MAPK1TLR8TLR7MAP4K4
SCHEMBL23037710 0.84 TLR7 (0.40) 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 L3MBTL1 3780/4885ABL1 4655/4885BCR 2330/4885

“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.