SCHEMBL29314869

SCHEMBL29314869

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)[C@H]3CCCO3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 4/20 0.39
GLA P06280 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KCNH2 Q12809 2/20 0.39
SLC22A1 O15245 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
LMNA P02545 1/20 0.39
DRD4 P21917 4/20 0.39
DRD2 P14416 3/20 0.39

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
SCHEMBL29314714 0.98 DRD4 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL26783783 0.92 DRD4 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL29322679 0.89 MAP4K4 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL29314641 0.88 HTR1A (0.40) ALDH1A1KCNH2DRD4DRD2HTR1A
SCHEMBL23037710 0.84 TLR7 (0.40)
SCHEMBL29320192 0.83 TLR7 (0.39)
SCHEMBL23037589 0.82 TLR8 (0.38)
SCHEMBL30539846 0.82 TLR8 (0.38)
SCHEMBL29320220 0.82 TLR8 (0.37)
SCHEMBL29057286 0.81 TLR7 (0.40) KDM4EHSD17B10MAPTTSHR

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 KDM4E 3888/4885ALDH1A1 843/4885GLA 1620/4885

“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.