SCHEMBL26786381

SCHEMBL26786381

C[C@@H](CO)Cn1cc2c(N)nc3cc(-c4cc[nH]n4)ccc3c2n1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.32
PIK3CD O00329 2/20 0.31
ABL1 P00519 2/20 0.31
EGFR P00533 2/20 0.31
HCK P08631 2/20 0.31
SRC P12931 2/20 0.31
KDR P35968 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CB P42338 2/20 0.31
MTOR P42345 2/20 0.31
PIK3CG P48736 2/20 0.31
EPHB4 P54760 2/20 0.31
PRKDC P78527 2/20 0.31
PI4KB Q9UBF8 1/20 0.31
NLRP3 Q96P20 3/20 0.31
TARS1 P26639 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
SCHEMBL26781286 1.00 TLR7 (0.32) TLR7PIK3CDABL1EGFRHCK
SCHEMBL26786104 1.00 TLR7 (0.32) TLR7PIK3CDABL1EGFRHCK
SCHEMBL29315155 0.92 TLR7 (0.37) TLR7PIK3CDABL1EGFRHCK
SCHEMBL29314387 0.91 TLR7 (0.34) TLR7NLRP3
SCHEMBL29315921 0.91 TLR7 (0.34) TLR7NLRP3
SCHEMBL29315014 0.90 NLRP3 (0.32) NLRP3
SCHEMBL26781359 0.90 TLR7 (0.34) TLR7NLRP3TARS1
SCHEMBL26786882 0.90 TLR7 (0.34) TLR7NLRP3TARS1
SCHEMBL26786853 0.90 TLR7 (0.34) TLR7NLRP3TARS1
SCHEMBL26789833 0.90 TLR7 (0.37) TLR7NLRP3

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 3 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
EP-3784670-B1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2023-11-29 EP 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 TLR7 236/4885PIK3CD 3368/4885ABL1 4655/4885

“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.