SCHEMBL29326732

SCHEMBL29326732

Oc1cc(C(F)(F)F)ccc1-c1nnc(N[C@@H]2CCOC[C@H]2O)nc1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.48
KCNH2 Q12809 1/20 0.48
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
IL1B P01584 5/20 0.38
TNF P01375 1/20 0.38
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
CCND3 P30281 2/20 0.36
CDK6 Q00534 2/20 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
SCHEMBL29326381 0.88 NLRP3 (0.53) NLRP3KCNH2TMEM97SIGMAR1IL1B
SCHEMBL29326723 0.86 NLRP3 (0.64) NLRP3KCNH2IL1BTNF
SCHEMBL29326726 0.86 NLRP3 (0.61) NLRP3KCNH2IL1BTNF
SCHEMBL29326740 0.86 IL1B (0.40) NLRP3KCNH2IL1BCDK4CCND1
SCHEMBL29326744 0.85 CDK4 (0.38) IL1BCDK4CCND1CCND3CDK6
SCHEMBL29326748 0.85 CDK4 (0.37) NLRP3KCNH2CDK4CCND1CCND3
SCHEMBL29326425 0.80 NLRP3 (0.53) NLRP3KCNH2TMEM97SIGMAR1IL1B
SCHEMBL29326402 0.79 NLRP3 (0.51) NLRP3KCNH2IL1BTNF
SCHEMBL29974860 0.76 IL1B (0.63) NLRP3KCNH2IL1BTNF
SCHEMBL29326626 0.76 NLRP3 (0.39) NLRP3KCNH2CDK4CCND1CCND3

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 NLRP3 1/4885KCNH2 2120/4885TMEM97 1298/4885

“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.