Sugi Predict

Sugi Predict / Compounds / SCHEMBL29326566

SCHEMBL29326566

SCHEMBL29326566

COc1ccc(-c2nnc(N[C@@H]3CCCC[C@H]3O)nc2C)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CCNE2 O96020 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ NCOA1 Q15788 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
Hydrochloric Acid SCHEMBL30684819 0.99 NLRP3 (0.47) NLRP3KCNH2MEN1KMT2AMAPT
SCHEMBL29326803 0.88 NLRP3 (0.47) NLRP3KCNH2CCNE2CCNE1CDK2
SCHEMBL29975294 0.88 NLRP3 (0.47) NLRP3KCNH2CCNE2CCNE1CDK2
SCHEMBL30684765 0.88 NLRP3 (0.52) NLRP3KCNH2MAPTCNR1IDH1
SCHEMBL29326443 0.88 NLRP3 (0.52) NLRP3KCNH2MAPTCNR1IDH1
Hydrochloric Acid SCHEMBL29974962 0.87 NLRP3 (0.46) NLRP3KCNH2CCNE2CCNE1CDK2
SCHEMBL29326482 0.87 NLRP3 (0.51) NLRP3KCNH2KMT2ATSHRCNR1
SCHEMBL26434277 0.87 NLRP3 (0.51) NLRP3KCNH2KMT2ATSHRCNR1
SCHEMBL29326571 0.86 MAPK1 (0.37) NLRP3KCNH2MEN1KMT2AMAPT
SCHEMBL29326539 0.85 NLRP3 (0.52) NLRP3KCNH2CNR1IDH1IL1B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 — — US claimed
EP-4345097-A1 SUBSTITUTED TRIAZINE COMPOUND Astellas Pharma Inc. (JP) 2024-04-03 — — EP claimed
CN-117222626-A Substituted triazine compounds 安斯泰来制药株式会社 2023-12-12 — — CN claimed
WO-2022230912-A1 SUBSTITUTED TRIAZINE COMPOUND アステラス製薬株式会社 2022-11-03 — — WO claimed
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 — — US disclosed
US-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 — — US disclosed
EP-4345097-A1 SUBSTITUTED TRIAZINE COMPOUND Astellas Pharma Inc. (JP) 2024-04-03 — — EP disclosed
CN-117222626-A Substituted triazine compounds 安斯泰来制药株式会社 2023-12-12 — — CN disclosed
WO-2022230912-A1 SUBSTITUTED TRIAZINE COMPOUND アステラス製薬株式会社 2022-11-03 — — WO 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 1/4885KCNH2 2120/4885MEN1 4346/4885

“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.