SCHEMBL30375286

SCHEMBL30375286

Cc1nc(NC2CC(C)(O)C2)nnc1-c1ncc(C(F)(F)F)cc1O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL1B P01584 13/20 0.52
TNF P01375 3/20 0.52
NLRP3 Q96P20 5/20 0.47
SCN9A Q15858 1/20 0.35
KCNH2 Q12809 2/20 0.32
PIM1 P11309 1/20 0.31
METAP1 P53582 1/20 0.30

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
SCHEMBL26438433 1.00 IL1B (0.52) IL1BTNFNLRP3SCN9AKCNH2
SCHEMBL26133269 1.00 IL1B (0.52) IL1BTNFNLRP3SCN9AKCNH2
SCHEMBL26437279 0.86 IL1B (0.41) IL1BTNFNLRP3
SCHEMBL26437243 0.85 IL1B (0.41) IL1BTNFNLRP3SCN9AKCNH2
SCHEMBL26437245 0.85 IL1B (0.43) IL1BTNFNLRP3KCNH2
SCHEMBL24695700 0.84 IL1B (0.69) IL1BTNFNLRP3KCNH2
SCHEMBL30054549 0.84 IL1B (0.69) IL1BTNFNLRP3KCNH2
SCHEMBL29326389 0.84 IL1B (0.69) IL1BTNFNLRP3KCNH2
SCHEMBL29326368 0.84 IL1B (0.69) IL1BTNFNLRP3KCNH2
SCHEMBL26434290 0.84 IL1B (0.61) IL1BTNFNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250002470-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ZHEJIANG AIXPLORER BIOTECH CO., LTD. (CN) 2025-01-02 US disclosed
EP-4421068-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Zhejiang Aixplorer Biotech Co., Ltd. (CN) 2024-08-28 EP disclosed
CN-116102535-A Nitrogen-containing compound, preparation method and application thereof 索智生物科技(浙江)有限公司 2023-05-12 CN 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-20250002470-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF NOD1, NLRP3, NLRP1 IL1B 9/4885TNF 186/4885NLRP3 2/4885

“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.