SCHEMBL29660853

SCHEMBL29660853

CCc1nc2c(C(C)C)nn(CC(=O)Nc3ccncn3)c(=O)c2s1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.50
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL29660812 0.85 NLRP3 (0.63) NLRP3TSHRHTTSMN1; SMN2F10
SCHEMBL31305786 0.80 NLRP3 (0.55) NLRP3TSHRHTTSMN1; SMN2F10
SCHEMBL29030797 0.78 NLRP3 (0.43) NLRP3SMN1; SMN2GAAALDH1A1
SCHEMBL31305701 0.78 NLRP3 (0.50) NLRP3TSHRHTTSMN1; SMN2HPGD
SCHEMBL31305708 0.77 NLRP3 (0.54) NLRP3TSHRHTTSMN1; SMN2F10
SCHEMBL24077115 0.74 NLRP3 (0.55) NLRP3TSHRHTTSMN1; SMN2F10
SCHEMBL29660925 0.74 KDM4E (0.41) NLRP3TSHRHPGDKDM4EGAA
SCHEMBL26733835 0.73 NLRP3 (0.56) NLRP3TSHRHTTSMN1; SMN2HPGD
SCHEMBL24077074 0.73 NLRP3 (0.56) NLRP3TSHRHTTSMN1; SMN2HPGD
SCHEMBL24834534 0.73 NLRP3 (0.51) NLRP3TSHRHTTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043450-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2024-02-08 US disclosed
EP-4217347-A1 NEW COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
CN-116194445-A New compounds 詹森药业有限公司 2023-05-30 CN disclosed
WO-2022063896-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 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-20240043450-A1 NEW COMPOUND NLRP3, NLRP1, PYCARD NLRP3 1/4885TSHR 4624/4885HTT 2052/4885

“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.