SCHEMBL29314648

SCHEMBL29314648

Cc1cnc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TNKS O95271 1/20 0.34
MAPT P10636 3/20 0.33
NAMPT P43490 6/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATR Q13535 1/20 0.32

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
SCHEMBL29314715 0.91 MAPT (0.36) TLR8TLR7MAPTNAMPTATR
SCHEMBL29314678 0.88 MAOB (0.38) TLR8TLR7MAPTNAMPTCYP3A4
SCHEMBL29314642 0.88 TLR8 (0.36) TLR8TLR7MAPTNAMPTHTR1A
SCHEMBL29314696 0.88 BACE1 (0.38) NPC1RAB9AMAPT
SCHEMBL29314661 0.88 CFTR (0.40) TLR8TLR7MAPTNAMPTPOLB
SCHEMBL23037521 0.88 NAMPT (0.37) TLR8TLR7MAPTNAMPTCYP3A4
SCHEMBL29314643 0.88 TLR8 (0.34) TLR8TLR7MAPTNAMPT
SCHEMBL30539908 0.88 NAMPT (0.37) TLR8TLR7MAPTNAMPTCYP3A4
SCHEMBL29314704 0.88 NAMPT (0.35) TLR8TLR7MAPTNAMPT
SCHEMBL29314637 0.88 TLR7 (0.35) TLR8TLR7NPC1RAB9ANAMPT

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 TLR8 210/4885TLR7 236/4885NPC1 84/4885

“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.