SCHEMBL29326100

SCHEMBL29326100

O=C1NCC[C@@H]1Nc1nnc(Br)c(C2CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
SCN9A Q15858 3/20 0.35
HPGDS O60760 3/20 0.34
LRRK2 Q5S007 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL16000542 0.72 SCN9A (0.38) HSD11B1SCN9AHPGDSDDB1CRBN
SCHEMBL29975282 0.71 HPGDS (0.41) HSD11B1SCN9AHPGDSDDB1CRBN
SCHEMBL29325904 0.71 SCN9A (0.33) HSD11B1SCN9AHPGDSDDB1CRBN
SCHEMBL29325902 0.71 SCN9A (0.33) HSD11B1SCN9AHPGDSDDB1CRBN
SCHEMBL29155912 0.71 HPGDS (0.41) HSD11B1SCN9AHPGDSDDB1CRBN
SCHEMBL29326790 0.71 HPGDS (0.38) HSD11B1SCN9AHPGDSMKNK1MKNK2
SCHEMBL29326090 0.67 PIM1 (0.42) HSD11B1MKNK1MKNK2
SCHEMBL29326092 0.67 IDH1 (0.44) HSD11B1MKNK1MKNK2
SCHEMBL29326088 0.66 HPGDS (0.34) HPGDS
SCHEMBL29155938 0.66 HPGDS (0.34) HPGDS

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 HSD11B1 1433/4885SCN9A 3093/4885HPGDS 3900/4885

“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.