SCHEMBL24979092

SCHEMBL24979092

CC(C)c1ccnc(C(C)C)c1NC(=O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
CDK5 Q00535 1/20 0.50
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 4/20 0.43
PORCN Q9H237 1/20 0.42
F2 P00734 1/20 0.42
F12 P00748 1/20 0.42
KDM4E B2RXH2 4/20 0.41
THRB P10828 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL30162804 1.00 CCNE1 (0.50) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL3955253 0.82 KMT2A (0.59) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL21963153 0.77 CCNE1 (0.51) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL13437400 0.76 NLRP3 (0.56) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL6280538 0.75 ALDH1A1 (0.50) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL29454319 0.71 NPC1 (0.45) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL10489762 0.70 ALDH1A1 (0.49) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL15105404 0.69 KMT2A (0.60) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL896911 0.69 GAA (0.60) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL24616587 0.68 CCNE1 (0.55) CCNE1CDK2CDK5ALDH1A1KMT2A

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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CCNE1 4866/4885CDK2 4698/4885CDK5 4617/4885

“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.