SCHEMBL29326156

SCHEMBL29326156

Cc1nc(NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.41
IL1B P01584 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
P2RX3 P56373 3/20 0.36
P2RX2 Q9UBL9 3/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
PTK2 Q05397 2/20 0.36
EPHA2 P29317 2/20 0.36
SCN9A Q15858 1/20 0.36
ALK Q9UM73 2/20 0.36
KCNH2 Q12809 1/20 0.35
TNF P01375 1/20 0.35
ERBB2 P04626 1/20 0.35
EPHB4 P54760 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 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
SCHEMBL27182186 0.90 NLRP3 (0.43) NLRP3IL1BSCN9AKCNH2TNF
SCHEMBL29326142 0.85 IL1B (0.44) NLRP3IL1BHDAC4HDAC6SCN9A
SCHEMBL29326121 0.82 IL1B (0.47) NLRP3IL1BHDAC4HDAC6JAK2
SCHEMBL29326158 0.81 IL1B (0.41) NLRP3IL1BKCNH2TNF
SCHEMBL29326138 0.80 TRPV1 (0.44) NLRP3IL1BKCNH2
SCHEMBL29326150 0.79 IL1B (0.52) NLRP3IL1BHDAC4HDAC6KCNH2
SCHEMBL29974698 0.79 IL1B (0.52) NLRP3IL1BHDAC4HDAC6KCNH2
SCHEMBL29326412 0.79 NLRP3 (0.48) NLRP3IL1BKCNH2TNF
SCHEMBL29326688 0.78 NLRP3 (0.48) NLRP3IL1BKCNH2TNF
SCHEMBL30685036 0.78 EPHA2 (0.39) HDAC4HDAC6P2RX3P2RX2EPHA2

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 3 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
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 1/4885IL1B 11/4885HDAC4 411/4885

“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.