SCHEMBL29326790

SCHEMBL29326790

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.38
SCN9A Q15858 5/20 0.36
FPR2 P25090 2/20 0.36
IL1B P01584 4/20 0.36
ARF6 P62330 1/20 0.35
HSD11B1 P28845 1/20 0.34
SLC6A3 Q01959 1/20 0.33
DGAT2 Q96PD7 1/20 0.31
NLRP3 Q96P20 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 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
SCHEMBL29326596 0.88 IL1B (0.40) HPGDSSCN9AFPR2IL1BNLRP3
SCHEMBL29326794 0.85 NLRP3 (0.41) SCN9AFPR2IL1BARF6NLRP3
SCHEMBL29326792 0.82 SCN9A (0.47) HPGDSSCN9AFPR2IL1B
SCHEMBL29326601 0.77 NLRP3 (0.35) HPGDSSCN9AFPR2IL1BNLRP3
SCHEMBL29326752 0.77 KCNH2 (0.44) IL1BHSD11B1NLRP3
SCHEMBL29326775 0.76 IL1B (0.61) HPGDSIL1BARF6SLC6A3NLRP3
SCHEMBL29326744 0.73 CDK4 (0.38) IL1B
SCHEMBL29326781 0.73 IL1B (0.43) IL1BSLC6A3NLRP3
SCHEMBL29326501 0.73 NLRP3 (0.49) SCN9AFPR2IL1BNLRP3
SCHEMBL29326100 0.71 HSD11B1 (0.37) HPGDSSCN9AHSD11B1MKNK1MKNK2

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 HPGDS 3900/4885SCN9A 3093/4885FPR2 169/4885

“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.