SCHEMBL29326289

SCHEMBL29326289

Cc1nc(N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.42
IL1B P01584 6/20 0.41
IDH1 O75874 2/20 0.39
KCNH2 Q12809 1/20 0.38
TNF P01375 1/20 0.38
IDH2 P48735 1/20 0.38
SYK P43405 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
MAPT P10636 1/20 0.37
TACR1 P25103 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

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
SCHEMBL29326283 0.92 NLRP3 (0.42) NLRP3IL1BIDH1KCNH2TNF
SCHEMBL29326121 0.85 IL1B (0.47) NLRP3IL1BIDH1IDH2SYK
SCHEMBL29974698 0.84 IL1B (0.52) NLRP3IL1BIDH1KCNH2MAPT
SCHEMBL29326150 0.84 IL1B (0.52) NLRP3IL1BIDH1KCNH2MAPT
SCHEMBL29326149 0.84 IL1B (0.52) NLRP3IL1BIDH1KCNH2MAPT
SCHEMBL29326123 0.83 NLRP3 (0.46) NLRP3IL1BIDH1KCNH2SYK
SCHEMBL30684770 0.82 NLRP3 (0.44) NLRP3IL1BKCNH2TNFSYK
SCHEMBL29326130 0.82 NLRP3 (0.44) NLRP3IL1BKCNH2TNFSYK
SCHEMBL27182184 0.79 IL1B (0.49) NLRP3IL1BKCNH2JAK2JAK3
SCHEMBL29326245 0.78 IDH1 (0.38) IDH1IDH2MAPT

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 1/4885IL1B 11/4885IDH1 2485/4885

“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.