SCHEMBL24076331

SCHEMBL24076331

CCOC(=O)Cn1nc(C(C)C)c2cc(C3CCC3)ccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ NLRP3 Q96P20 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 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
SCHEMBL30231190 1.00 CYP2C19 (0.47) CYP2C19L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL24076986 0.96 GAA (0.48) CYP2C19L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL24077142 0.87 NLRP3 (0.45) NLRP3ALDH1A1MEN1KMT2ATLR9
SCHEMBL29426489 0.85 TSHR (0.46) GAANLRP3KDM4EALDH1A1KMT2A
SCHEMBL26630483 0.85 TSHR (0.46) GAANLRP3KDM4EALDH1A1KMT2A
SCHEMBL24076962 0.85 GAA (0.52) CYP2C19L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL30231023 0.84 GAA (0.45) CYP2C19L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL24077148 0.84 GAA (0.45) CYP2C19L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL25746184 0.84 GAA (0.53) CYP2C19L3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL30231463 0.83 GAA (0.52) CYP2C19L3MBTL1CYP1A2CYP3A4CYP2C9

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-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
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 CYP2C19 604/4885L3MBTL1 3315/4885CYP1A2 373/4885

“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.

Send feedback