SCHEMBL29326121

SCHEMBL29326121

Cc1nc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IL1B P01584 4/20 0.47
IDH1 O75874 2/20 0.47
NLRP3 Q96P20 4/20 0.47
SCN9A Q15858 1/20 0.44
HDAC4 P56524 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
BTK Q06187 2/20 0.44
SYK P43405 1/20 0.43
IDH2 P48735 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
USP30 Q70CQ3 1/20 0.41
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
BRD4 O60885 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40

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
SCHEMBL29974698 0.95 IL1B (0.52) IL1BIDH1NLRP3HDAC4HDAC6
SCHEMBL29326149 0.95 IL1B (0.52) IL1BIDH1NLRP3HDAC4HDAC6
SCHEMBL29326150 0.95 IL1B (0.52) IL1BIDH1NLRP3HDAC4HDAC6
SCHEMBL29326123 0.89 NLRP3 (0.46) IL1BIDH1NLRP3SCN9AHDAC4
SCHEMBL27182184 0.88 IL1B (0.49) IL1BNLRP3HDAC4HDAC6BTK
SCHEMBL29326289 0.85 NLRP3 (0.42) IL1BIDH1NLRP3SYKIDH2
SCHEMBL30684761 0.85 IL1B (0.43) IL1BIDH1NLRP3SYKJAK2
SCHEMBL27182172 0.85 IL1B (0.43) IL1BIDH1NLRP3SYKJAK2
SCHEMBL29326283 0.85 NLRP3 (0.42) IL1BIDH1NLRP3SYKIDH2
SCHEMBL29155911 0.85 TRPV1 (0.43) IL1BIDH1NLRP3SCN9AHDAC4

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 11/4885IDH1 2485/4885NLRP3 1/4885

“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.