SCHEMBL29326544

SCHEMBL29326544

Cc1nc(N[C@@H]2CCCC[C@@]2(C)O)nnc1-c1ccc(Cl)cc1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL1B P01584 5/20 0.47
PGR P06401 3/20 0.41
NR3C2 P08235 3/20 0.41
AR P10275 3/20 0.41
NR3C1 P04150 1/20 0.37
NLRP3 Q96P20 6/20 0.34
TRPA1 O75762 2/20 0.34
CRHR1 P34998 2/20 0.32
KCNH2 Q12809 1/20 0.32
TNF P01375 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL29326550 0.89 PGR (0.38) IL1BPGRNR3C2ARNR3C1
SCHEMBL29326781 0.88 IL1B (0.43) IL1BPGRNR3C2ARNR3C1
SCHEMBL29326515 0.85 NLRP3 (0.49) IL1BPGRNR3C2ARNLRP3
SCHEMBL29326561 0.82 IL1B (0.52) IL1BPGRNR3C2ARNLRP3
SCHEMBL29326525 0.81 IL1B (0.67) IL1BNLRP3TNF
SCHEMBL26434594 0.81 IL1B (0.67) IL1BNLRP3TNF
SCHEMBL26093102 0.80 NLRP3 (0.49) IL1BNLRP3CRHR1KCNH2TNF
SCHEMBL26434542 0.80 NLRP3 (0.49) IL1BNLRP3CRHR1KCNH2TNF
SCHEMBL30375553 0.80 NLRP3 (0.49) IL1BNLRP3CRHR1KCNH2TNF
SCHEMBL29326834 0.79 IL1B (0.42) IL1BKCNH2

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 11/4885PGR 3347/4885NR3C2 1343/4885

“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.