SCHEMBL29326130

SCHEMBL29326130

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.44
KCNH2 Q12809 1/20 0.44
IL1B P01584 5/20 0.40
TNF P01375 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
MAPT P10636 1/20 0.37
ALK Q9UM73 2/20 0.36
DGAT2 Q96PD7 1/20 0.36
SSTR4 P31391 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
ENPP2 Q13822 1/20 0.36
SYK P43405 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL30684770 1.00 NLRP3 (0.44) NLRP3KCNH2IL1BTNFCDK4
SCHEMBL29326123 0.93 NLRP3 (0.46) NLRP3KCNH2IL1BCDK4CCND1
SCHEMBL27182183 0.89 NLRP3 (0.47) NLRP3KCNH2IL1BTNFCDK4
SCHEMBL27182189 0.89 NLRP3 (0.47) NLRP3KCNH2IL1BTNFCDK4
SCHEMBL29326121 0.85 IL1B (0.47) NLRP3IL1BJAK2JAK3PTK2
SCHEMBL29326150 0.83 IL1B (0.52) NLRP3KCNH2IL1BMAPTUSP30
SCHEMBL29974698 0.83 IL1B (0.52) NLRP3KCNH2IL1BMAPTUSP30
SCHEMBL29326149 0.83 IL1B (0.52) NLRP3KCNH2IL1BMAPTUSP30
SCHEMBL29974966 0.83 NLRP3 (0.49) NLRP3KCNH2IL1BTNFCDK4
SCHEMBL27182174 0.83 NLRP3 (0.49) NLRP3KCNH2IL1BTNFCDK4

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 NLRP3 1/4885KCNH2 2120/4885IL1B 11/4885

“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.