SCHEMBL29326643

SCHEMBL29326643

Cc1nc(N[C@@H]2CCC[C@H](O)C2)nnc1-c1ccc(C2CC2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.47
IL1B P01584 4/20 0.39
TNF P01375 1/20 0.39
CCNT1 O60563 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
MAPK8 P45983 4/20 0.34
MAPK9 P45984 2/20 0.33
MAPK10 P53779 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
IRAK1 P51617 1/20 0.33
ESR2 Q92731 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
SCHEMBL29326633 0.88 NLRP3 (0.41) NLRP3IL1BTNFCCNT1CDK2
SCHEMBL29326637 0.86 IL1B (0.46) NLRP3IL1BTNFCCNT1CDK2
SCHEMBL30684741 0.84 IL1B (0.52) NLRP3IL1BTNF
SCHEMBL27182193 0.84 IL1B (0.52) NLRP3IL1BTNF
SCHEMBL30375405 0.84 IL1B (0.52) NLRP3IL1BTNF
SCHEMBL26092873 0.84 IL1B (0.52) NLRP3IL1BTNF
Hydrochloric Acid SCHEMBL29975485 0.83 IL1B (0.52) NLRP3IL1BTNF
SCHEMBL29030530 0.82 NLRP3 (0.71) NLRP3IL1B
SCHEMBL30295445 0.82 NLRP3 (0.71) NLRP3IL1B
SCHEMBL29326630 0.82 NLRP3 (0.52) NLRP3IL1BTNF

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 1/4885IL1B 11/4885TNF 67/4885

“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.