SCHEMBL29326158

SCHEMBL29326158

Cc1nc(NC[C@H]2COCCN2C(=O)OC(C)(C)C)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL1B P01584 6/20 0.41
NLRP3 Q96P20 6/20 0.41
TRPV1 Q8NER1 1/20 0.36
P2RX7 Q99572 1/20 0.35
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 2/20 0.34
CYP3A4 P08684 2/20 0.34
KCNH2 Q12809 1/20 0.34
TNF P01375 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ENPP2 Q13822 1/20 0.34
SYK P43405 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL29326138 0.88 TRPV1 (0.44) IL1BNLRP3TRPV1HCRTR1HCRTR2
SCHEMBL29326156 0.81 NLRP3 (0.41) IL1BNLRP3KCNH2TNF
SCHEMBL29326134 0.80 TRPV1 (0.43) TRPV1HCRTR1HCRTR2
SCHEMBL29326142 0.79 IL1B (0.44) IL1BNLRP3
SCHEMBL29326054 0.78 IL1B (0.39) IL1BP2RX7TNFTSHR
SCHEMBL29326164 0.78 NLRP3 (0.44) IL1BNLRP3KCNH2TNFSYK
SCHEMBL29326159 0.78 NLRP3 (0.44) IL1BNLRP3KCNH2TNFSYK
SCHEMBL27182181 0.77 NLRP3 (0.45) IL1BNLRP3HCRTR1HCRTR2KCNH2
SCHEMBL29326121 0.76 IL1B (0.47) IL1BNLRP3TRPV1SYK
SCHEMBL29326825 0.75 BCDIN3D (0.47) IL1BNLRP3KCNH2TNF

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 1/4885TRPV1 68/4885

“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.