SCHEMBL29314663

SCHEMBL29314663

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3cc(Cl)ccn3)nc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.34
BACE1 P56817 1/20 0.34
KLKB1 P03952 5/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
MAPT P10636 2/20 0.32
NAMPT P43490 4/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KLK1 P06870 1/20 0.30
TDO2 P48775 1/20 0.30
MEN1 O00255 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
SCHEMBL26783715 0.94 KDR (0.34) KDRBACE1KLKB1MAPTNAMPT
SCHEMBL29314656 0.91 KLKB1 (0.33) KLKB1TLR8TLR7MAPTNAMPT
SCHEMBL29314651 0.91 NAMPT (0.36) TLR8TLR7MAPTNAMPT
SCHEMBL29320279 0.91 KDM4E (0.38) TLR8TLR7DRD2MEN1KMT2A
SCHEMBL29314678 0.90 MAOB (0.38) TLR8TLR7MAPTNAMPT
SCHEMBL29314683 0.88 ADORA3 (0.35) TLR8TLR7MAPTNAMPT
SCHEMBL29314696 0.88 BACE1 (0.38) BACE1MAPTMEN1KMT2A
SCHEMBL29314706 0.88 TLR8 (0.34) TLR8TLR7NAMPTMEN1KMT2A
SCHEMBL29314643 0.88 TLR8 (0.34) KLKB1TLR8TLR7MAPTNAMPT
SCHEMBL29314707 0.87 NAMPT (0.33) TLR8TLR7MAPTNAMPT

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 KDR 4464/4885BACE1 406/4885KLKB1 508/4885

“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.