SCHEMBL25815956

SCHEMBL25815956

CCc1nn(C)c(=O)c2cc(C3CC3)cn12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
BRD9 Q9H8M2 3/20 0.35
BRD7 Q9NPI1 1/20 0.35
MAT2A P31153 3/20 0.35
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL23952585 0.81 POLB (0.42) POLB
SCHEMBL25815943 0.81 MAT2A (0.35) KCNH2MAT2A
SCHEMBL25816718 0.76 RXFP1 (0.40) POLB
SCHEMBL23952566 0.76 RXFP1 (0.46) POLB
SCHEMBL23952030 0.75 PRMT5 (0.33) KCNH2MAT2A
SCHEMBL24815028 0.66 EPHX2 (0.36) BRD9
SCHEMBL23952043 0.65 NLRP3 (0.46) KCNH2
SCHEMBL23950473 0.61 PRMT5 (0.33) MAT2A
SCHEMBL16263977 0.60 DRD2 (0.33)
SCHEMBL25745852 0.60 TYR (0.38) BRD9

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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B KCNH2 3564/4885BRD9 3001/4885BRD7 1968/4885

“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.