SCHEMBL29326637

SCHEMBL29326637

Cc1nc(N[C@@H]2CCC[C@H](O)C2)nnc1-c1ccc(Cl)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 7/20 0.46
TNF P01375 1/20 0.39
NLRP3 Q96P20 6/20 0.39
TRPV1 Q8NER1 1/20 0.38
CDK2 P24941 2/20 0.36
CDK9 P50750 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK7 P50613 1/20 0.36
CDC7 O00311 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL26434544 0.90 IL1B (0.47) IL1BTNFNLRP3SMN1; SMN2
SCHEMBL29326633 0.89 NLRP3 (0.41) IL1BTNFNLRP3CDK2CDK9
SCHEMBL29326643 0.86 NLRP3 (0.47) IL1BTNFNLRP3CDK2CDK9
SCHEMBL30375405 0.85 IL1B (0.52) IL1BTNFNLRP3TRPV1
SCHEMBL26092873 0.85 IL1B (0.52) IL1BTNFNLRP3TRPV1
SCHEMBL30684741 0.85 IL1B (0.52) IL1BTNFNLRP3TRPV1
SCHEMBL27182193 0.85 IL1B (0.52) IL1BTNFNLRP3TRPV1
Hydrochloric Acid SCHEMBL29975485 0.84 IL1B (0.52) IL1BTNFNLRP3TRPV1
SCHEMBL29326630 0.82 NLRP3 (0.52) IL1BTNFNLRP3
SCHEMBL29326647 0.82 IL1B (0.51) IL1BTNFNLRP3PIM1

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 11/4885TNF 67/4885NLRP3 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.