SCHEMBL29326569

SCHEMBL29326569

COc1ccc(-c2nnc(N[C@H]3C[C@@](C)(O)C3)nc2C)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 6/20 0.53
TNF P01375 1/20 0.46
NLRP3 Q96P20 3/20 0.42
HPGDS O60760 1/20 0.40
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MAPK10 P53779 1/20 0.36
PTK2B Q14289 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CRHR1 P34998 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL29326526 0.88 IL1B (0.71) IL1BTNFNLRP3CRHR1
SCHEMBL26434285 0.86 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL29326531 0.86 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL29326525 0.84 IL1B (0.67) IL1BTNFNLRP3
SCHEMBL26434594 0.84 IL1B (0.67) IL1BTNFNLRP3
SCHEMBL29326622 0.83 IL1B (0.48) IL1BTNFNLRP3HPGDS
SCHEMBL24695700 0.82 IL1B (0.69) IL1BTNFNLRP3
SCHEMBL29030483 0.82 NLRP3 (0.50) IL1BTNFNLRP3
SCHEMBL29326368 0.82 IL1B (0.69) IL1BTNFNLRP3
SCHEMBL30054549 0.82 IL1B (0.69) IL1BTNFNLRP3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD IL1B 11/4885TNF 67/4885NLRP3 1/4885

“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.