SCHEMBL29314610

SCHEMBL29314610

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCCN3CCOCC3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
FLT3 P36888 1/20 0.37
LMNA P02545 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PDPK1 O15530 2/20 0.34
SRC P12931 1/20 0.34
ACP1 P24666 1/20 0.33
JAK2 O60674 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL23037607 0.95 FLT3 (0.40) TLR8TLR7FLT3HRH3PDPK1
SCHEMBL30539803 0.95 FLT3 (0.40) TLR8TLR7FLT3HRH3PDPK1
SCHEMBL26784279 0.93 FLT3 (0.37) TLR8TLR7FLT3LMNAHRH3
SCHEMBL23037627 0.85 TLR8 (0.47) TLR8TLR7
SCHEMBL30539860 0.84 TLR7 (0.46) TLR8TLR7
SCHEMBL23037675 0.84 TLR7 (0.46) TLR8TLR7
SCHEMBL23037618 0.83 TLR8 (0.36) TLR8TLR7
SCHEMBL23037577 0.83 TLR8 (0.43) TLR8TLR7
SCHEMBL29315499 0.82 SMN1; SMN2 (0.38) FLT3JAK2
SCHEMBL29314605 0.81 TLR8 (0.46) TLR8TLR7FLT3PDPK1MAP4K4

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 236/4885FLT3 495/4885

“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.