SCHEMBL29326142

SCHEMBL29326142

Cc1nc(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1-c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IL1B P01584 4/20 0.44
IRAK1 P51617 1/20 0.44
NLRP3 Q96P20 4/20 0.44
ACKR3 P25106 1/20 0.42
GLS O94925 2/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
CYP2C9 P11712 1/20 0.39
SCN9A Q15858 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM1A O60341 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
MAPT P10636 1/20 0.38
KAT7 O95251 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38

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
SCHEMBL29326847 0.90 IL1B (0.47) IL1BNLRP3CCNT1
SCHEMBL29974698 0.86 IL1B (0.52) IL1BNLRP3HDAC4HDAC6MAPT
SCHEMBL29326150 0.86 IL1B (0.52) IL1BNLRP3HDAC4HDAC6MAPT
SCHEMBL29326149 0.86 IL1B (0.52) IL1BNLRP3HDAC4HDAC6MAPT
SCHEMBL29326138 0.86 TRPV1 (0.44) IL1BNLRP3
SCHEMBL29326156 0.85 NLRP3 (0.41) IL1BNLRP3SCN9AHDAC4HDAC6
SCHEMBL29326121 0.85 IL1B (0.47) IL1BNLRP3SCN9AHDAC4HDAC6
SCHEMBL29326123 0.81 NLRP3 (0.46) IL1BNLRP3SCN9AHDAC4HDAC6
SCHEMBL29326670 0.80 NLRP3 (0.54) IL1BNLRP3
SCHEMBL25405494 0.80 IL1B (0.42) IL1BIRAK1NLRP3ACKR3GLS

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 11/4885IRAK1 37/4885NLRP3 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.