SCHEMBL29326752

SCHEMBL29326752

Oc1cc(Cl)ccc1-c1nnc(N[C@@H]2CCCC[C@H]2O)nc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
NLRP3 Q96P20 1/20 0.44
IDH1 O75874 1/20 0.40
IL1B P01584 4/20 0.38
CNR1 P21554 9/20 0.37
CNR2 P34972 5/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ANO1 Q5XXA6 1/20 0.33
HSD11B1 P28845 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
SCHEMBL29326759 0.87 NLRP3 (0.48) KCNH2NLRP3IDH1IL1BCNR1
SCHEMBL30375553 0.86 NLRP3 (0.49) KCNH2NLRP3IDH1IL1BCNR1
SCHEMBL26434542 0.86 NLRP3 (0.49) KCNH2NLRP3IDH1IL1BCNR1
SCHEMBL26093102 0.86 NLRP3 (0.49) KCNH2NLRP3IDH1IL1BCNR1
SCHEMBL29326744 0.85 CDK4 (0.38) IL1B
SCHEMBL29326723 0.84 NLRP3 (0.64) KCNH2NLRP3IDH1IL1BCNR1
SCHEMBL29326726 0.82 NLRP3 (0.61) KCNH2NLRP3IDH1IL1B
SCHEMBL29326755 0.82 KCNH2 (0.46) KCNH2NLRP3IDH1IL1BCNR1
SCHEMBL29326781 0.79 IL1B (0.43) KCNH2NLRP3IL1BCNR1CNR2
SCHEMBL29326775 0.77 IL1B (0.61) NLRP3IL1BCNR1CNR2

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 KCNH2 2120/4885NLRP3 1/4885IDH1 2485/4885

“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.