SCHEMBL24076985

SCHEMBL24076985

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 18/20 0.60
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL24077169 0.91 NLRP3 (0.51) NLRP3TSHRHTTSMN1; SMN2
SCHEMBL24076990 0.90 NLRP3 (0.58) NLRP3TSHRHTTSMN1; SMN2
SCHEMBL24077286 0.88 NLRP3 (0.56) NLRP3TSHRHTTSMN1; SMN2
SCHEMBL30168573 0.87 NLRP3 (0.60) NLRP3
SCHEMBL24077213 0.87 NLRP3 (0.60) NLRP3
SCHEMBL24076988 0.87 NLRP3 (0.59) NLRP3TSHRHTTSMN1; SMN2
SCHEMBL24076982 0.86 NLRP3 (0.55) NLRP3
SCHEMBL24077227 0.86 NLRP3 (0.55) NLRP3
SCHEMBL29348128 0.86 NLRP3 (0.46) NLRP3TSHRHTTSMN1; SMN2
SCHEMBL24077285 0.85 NLRP3 (0.58) NLRP3

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 1/4885TSHR 4236/4885HTT 3267/4885

“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.