SCHEMBL29326833

SCHEMBL29326833

Cc1nc(N[C@@H]2CCCC[C@H]2N)nnc1-c1ccc(OC(F)(F)F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IL1B P01584 4/20 0.47
NLRP3 Q96P20 2/20 0.40
KCNH2 Q12809 2/20 0.40
SYK P43405 13/20 0.39
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36

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
SCHEMBL29326443 0.89 NLRP3 (0.52) IL1BNLRP3KCNH2GABBR2GABBR1
SCHEMBL30684765 0.89 NLRP3 (0.52) IL1BNLRP3KCNH2GABBR2GABBR1
SCHEMBL29326805 0.85 NLRP3 (0.56) IL1BNLRP3KCNH2SYK
SCHEMBL29975511 0.85 NLRP3 (0.56) IL1BNLRP3KCNH2SYK
Hydrochloric Acid SCHEMBL27182168 0.84 NLRP3 (0.55) IL1BNLRP3KCNH2SYK
Hydrochloric Acid SCHEMBL29975257 0.84 NLRP3 (0.55) IL1BNLRP3KCNH2SYK
SCHEMBL29326168 0.84 IL1B (0.44) IL1BNLRP3KCNH2SYKGABBR2
SCHEMBL29326836 0.84 SYK (0.41) NLRP3KCNH2SYK
SCHEMBL29326834 0.82 IL1B (0.42) IL1BKCNH2SYK
SCHEMBL29326561 0.81 IL1B (0.52) IL1BNLRP3KCNH2GABBR2GABBR1

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 11/4885NLRP3 1/4885KCNH2 2120/4885

“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.