SCHEMBL25301014

SCHEMBL25301014

C#Cc1ccc(-c2nnc(N[C@@H]3CCCNC3)c(C3CC3)c2C2CC2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.41
NLRP3 Q96P20 5/20 0.39
IL1B P01584 3/20 0.39
CHEK1 O14757 4/20 0.38
PDPK1 O15530 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CCNT1 O60563 2/20 0.35
CCNK O75909 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CDK9 P50750 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
PRKCZ Q05513 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35

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
SCHEMBL25301015 1.00 CHEK2 (0.41) CHEK2NLRP3IL1BCHEK1PDPK1
SCHEMBL30488558 0.96 CHEK2 (0.40) CHEK2NLRP3IL1BCHEK1PDPK1
SCHEMBL30488587 0.96 CHEK2 (0.40) CHEK2NLRP3IL1BCHEK1PDPK1
SCHEMBL29030533 0.96 CHEK2 (0.40) CHEK2NLRP3IL1BCHEK1PDPK1
SCHEMBL29030535 0.96 CHEK2 (0.40) CHEK2NLRP3IL1BCHEK1PDPK1
SCHEMBL25299853 0.82 EHMT2 (0.37) CHEK2NLRP3PDPK1RPS6KB1CCNT1
SCHEMBL25299854 0.82 EHMT2 (0.37) CHEK2NLRP3PDPK1RPS6KB1CCNT1
SCHEMBL31197274 0.82 EHMT2 (0.37) CHEK2NLRP3PDPK1RPS6KB1CCNT1
SCHEMBL25262878 0.82 NLRP3 (0.42) CHEK2NLRP3IL1BPDPK1RPS6KB1
SCHEMBL25302079 0.82 NLRP3 (0.42) CHEK2NLRP3IL1BPDPK1RPS6KB1

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-20250152584-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-05-15 US disclosed
EP-4461729-A1 ANTIGEN BINDING PROTEIN TARGETING MSLN AND USE THEREOF Transthera Sciences (Nanjing), Inc. (CN) 2024-11-13 EP disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 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-20250152584-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF NLRP3, NLRP1, PYCARD CHEK2 3752/4885NLRP3 1/4885IL1B 7/4885

“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.