SCHEMBL29314515

SCHEMBL29314515

Nc1nc2ccccc2c2n[nH]nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.47
TLR7 Q9NYK1 4/20 0.47
DCPS Q96C86 1/20 0.47
ADORA3 P0DMS8 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GLA P06280 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
NQO2 P16083 1/20 0.47
MAOA P21397 1/20 0.47
DRD1 P21728 1/20 0.47
ACHE P22303 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL21011556 0.76 TSHR (0.48) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL23037497 0.75 PTGES (0.47) TLR8TLR7ACHEHTT
SCHEMBL30539858 0.75 PTGES (0.47) TLR8TLR7ACHEHTT
SCHEMBL1008890 0.74 TLR7 (0.49) TLR8TLR7DCPSADORA3KDM4E
SCHEMBL29526654 0.74 ADORA3 (0.47) TLR8TLR7DCPSADORA3KDM4E
SCHEMBL1233223 0.74 ADORA3 (0.47) TLR8TLR7DCPSADORA3KDM4E
SCHEMBL30539814 0.74 DCPS (0.48) TLR8TLR7DCPSADORA3KDM4E
SCHEMBL29314505 0.74 DCPS (0.48) TLR8TLR7DCPSADORA3KDM4E
SCHEMBL1234454 0.74 TLR7 (0.49) TLR8TLR7DCPSADORA3ALDH1A1
Hydrochloric Acid SCHEMBL5572086 0.73 ADORA3 (0.46) TLR8TLR7DCPSADORA3KDM4E

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 236/4885DCPS 3366/4885

“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.