SCHEMBL29314701

SCHEMBL29314701

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3csc(-c4ccncc4)n3)nc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
IRAK4 Q9NWZ3 3/20 0.37
HPGD P15428 1/20 0.36
ACKR3 P25106 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
CHEK1 O14757 1/20 0.33
CSNK1D P48730 2/20 0.33
CSNK1E P49674 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
ROCK2 O75116 1/20 0.32
MAPK1 P28482 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
SCHEMBL29314706 0.89 TLR8 (0.34) TLR8TLR7MEN1KMT2A
SCHEMBL29314633 0.89 HIF1A (0.36) HDAC3HDAC1TLR8TLR7MEN1
SCHEMBL29320251 0.88 NAMPT (0.36) TLR8TLR7MEN1KMT2A
SCHEMBL29314696 0.86 BACE1 (0.38) MAPTMEN1KMT2A
SCHEMBL29314683 0.86 ADORA3 (0.35) MAPTCSNK1DCSNK1ETLR8TLR7
SCHEMBL29314656 0.86 KLKB1 (0.33) MAPTTLR8TLR7
SCHEMBL29320279 0.86 KDM4E (0.38) TLR8TLR7MEN1KMT2A
SCHEMBL29314717 0.85 ADORA3 (0.35) HDAC3HDAC1CSNK1DCSNK1ETLR8
SCHEMBL29314663 0.84 KDR (0.34) MAPTTLR8TLR7MEN1KMT2A
SCHEMBL29314651 0.84 NAMPT (0.36) HDAC3HDAC1MAPTTLR8TLR7

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 HDAC3 976/4885HDAC1 630/4885IRAK4 15/4885

“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.