SCHEMBL30833005

SCHEMBL30833005

Cc1nc(NC[C@@H](C)NC(=O)OC(C)(C)C)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.52
CCNE2 O96020 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
IL1B P01584 4/20 0.36
KCNH2 Q12809 1/20 0.36
TNF P01375 1/20 0.36
BRAF P15056 4/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
CRHR1 P34998 1/20 0.33
PTPRB P23467 1/20 0.33
EGFR P00533 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
SCHEMBL29326127 1.00 NLRP3 (0.52) NLRP3CCNE2CCNA2CCNE1CDK2
SCHEMBL27182177 0.89 NLRP3 (0.56) NLRP3IL1BKCNH2TNFBRAF
SCHEMBL27205446 0.89 NLRP3 (0.56) NLRP3IL1BKCNH2TNFBRAF
SCHEMBL29326352 0.83 NLRP3 (0.62) NLRP3IL1BKCNH2TNFBRAF
SCHEMBL29326378 0.81 NLRP3 (0.58) NLRP3IL1BKCNH2TNFCRHR1
SCHEMBL29326837 0.81 NLRP3 (0.60) NLRP3IL1BKCNH2TNFCRHR1
SCHEMBL29326657 0.81 NLRP3 (0.60) NLRP3IL1BKCNH2TNFCRHR1
Hydrochloric Acid SCHEMBL29974873 0.80 NLRP3 (0.59) NLRP3IL1BKCNH2TNFCRHR1
SCHEMBL29326347 0.80 NLRP3 (0.59) NLRP3IL1BKCNH2TNFCRHR1
Hydrochloric Acid SCHEMBL27205425 0.80 NLRP3 (0.59) NLRP3IL1BKCNH2TNFCRHR1

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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 US disclosed
EP-4345097-A1 SUBSTITUTED TRIAZINE COMPOUND Astellas Pharma Inc. (JP) 2024-04-03 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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD NLRP3 1/4885CCNE2 4481/4885CCNA2 4495/4885

“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.