SCHEMBL24077286

SCHEMBL24077286

CC(C)c1nn(CC(=O)Nc2ccc3nncn3n2)c(=O)c2ccc(C(C)(C)C)cc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 18/20 0.56
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL24077227 0.93 NLRP3 (0.55) NLRP3
SCHEMBL24076982 0.93 NLRP3 (0.55) NLRP3
SCHEMBL24077213 0.92 NLRP3 (0.60) NLRP3MAPT
SCHEMBL30168573 0.92 NLRP3 (0.60) NLRP3MAPT
SCHEMBL24076990 0.89 NLRP3 (0.58) NLRP3TSHRHTTSMN1; SMN2
SCHEMBL24076985 0.88 NLRP3 (0.60) NLRP3TSHRHTTSMN1; SMN2
SCHEMBL24076988 0.85 NLRP3 (0.59) NLRP3TSHRHTTSMN1; SMN2
SCHEMBL24077054 0.85 NLRP3 (0.63) NLRP3
SCHEMBL24077285 0.84 NLRP3 (0.58) NLRP3KDM4E
SCHEMBL24076989 0.83 NLRP3 (0.57) NLRP3TSHRHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B NLRP3 1/4885KDM4E 3777/4885POLB 3231/4885

“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.