SCHEMBL29326810

SCHEMBL29326810

Cc1nc(NC[C@@H]2CCCN2)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL1B P01584 11/20 0.54
NLRP3 Q96P20 6/20 0.48
KCNH2 Q12809 1/20 0.44
IDO1 P14902 3/20 0.41
TDO2 P48775 3/20 0.41
TNF P01375 1/20 0.40
SCN9A Q15858 1/20 0.37

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
SCHEMBL26438937 1.00 IL1B (0.54) IL1BNLRP3KCNH2IDO1TDO2
SCHEMBL27182190 0.88 CRHR1 (0.44) IL1BNLRP3IDO1TDO2SCN9A
SCHEMBL29326825 0.86 BCDIN3D (0.47) IL1BNLRP3KCNH2TNF
SCHEMBL29975540 0.85 CRHR1 (0.41) IL1BNLRP3IDO1TDO2SCN9A
SCHEMBL29326670 0.85 NLRP3 (0.54) IL1BNLRP3KCNH2TNF
SCHEMBL29326412 0.81 NLRP3 (0.48) IL1BNLRP3KCNH2TNF
SCHEMBL29326688 0.80 NLRP3 (0.48) IL1BNLRP3KCNH2TNF
SCHEMBL29326831 0.79 NLRP3 (0.51) IL1BNLRP3KCNH2TNF
SCHEMBL29326829 0.79 NLRP3 (0.51) IL1BNLRP3KCNH2TNF
SCHEMBL29131967 0.79 IL1B (0.49) IL1BNLRP3KCNH2IDO1TDO2

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 11/4885NLRP3 1/4885KCNH2 2120/4885

“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.