SCHEMBL29326836

SCHEMBL29326836

Cc1ccc(-c2nnc(N[C@@H]3CCCC[C@H]3N)nc2C)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.41
AURKB Q96GD4 4/20 0.41
KCNH2 Q12809 4/20 0.41
MAPK3 P27361 3/20 0.41
MAPK1 P28482 3/20 0.41
GP6 Q9HCN6 1/20 0.41
NLRP3 Q96P20 1/20 0.39
FER P16591 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
SCHEMBL29326834 0.89 IL1B (0.42) SYKAURKBKCNH2
SCHEMBL29326482 0.87 NLRP3 (0.51) KCNH2NLRP3
SCHEMBL26434277 0.87 NLRP3 (0.51) KCNH2NLRP3
SCHEMBL29975511 0.86 NLRP3 (0.56) SYKKCNH2NLRP3
SCHEMBL29326805 0.86 NLRP3 (0.56) SYKKCNH2NLRP3
Hydrochloric Acid SCHEMBL29975257 0.85 NLRP3 (0.55) SYKKCNH2NLRP3
Hydrochloric Acid SCHEMBL27182168 0.85 NLRP3 (0.55) SYKKCNH2NLRP3
SCHEMBL29326833 0.84 IL1B (0.47) SYKKCNH2NLRP3
SCHEMBL29326175 0.79 SYK (0.40) SYKKCNH2NLRP3
SCHEMBL31130797 0.78 SYK (0.49) SYKAURKBNLRP3

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 SYK 813/4885AURKB 4230/4885KCNH2 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.