SCHEMBL29326792

SCHEMBL29326792

O=C1NCC[C@@H]1Nc1nnc(-c2ccc(OC(F)(F)F)cc2O)c(C2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.47
HPGDS O60760 3/20 0.46
IL1B P01584 2/20 0.41
FPR2 P25090 2/20 0.35
PDE2A O00408 6/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL29326604 0.89 SCN9A (0.47) SCN9AHPGDSIL1BFPR2PDE2A
SCHEMBL29326794 0.86 NLRP3 (0.41) SCN9AIL1BFPR2
SCHEMBL29326790 0.82 HPGDS (0.38) SCN9AHPGDSIL1BFPR2
SCHEMBL29326755 0.79 KCNH2 (0.46) IL1B
SCHEMBL29326772 0.79 IL1B (0.65) IL1B
SCHEMBL29326785 0.76 IL1B (0.48) IL1BPDE2A
SCHEMBL29326740 0.76 IL1B (0.40) IL1BPDE2A
SCHEMBL29326501 0.74 NLRP3 (0.49) SCN9AIL1BFPR2
SCHEMBL29326505 0.74 NLRP3 (0.49) SCN9AIL1BFPR2
SCHEMBL29326601 0.72 NLRP3 (0.35) SCN9AHPGDSIL1BFPR2

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 SCN9A 3093/4885HPGDS 3900/4885IL1B 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.