SCHEMBL25819000

SCHEMBL25819000

CC(C)(C)c1cccc(C2CC(=O)NC(=O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.46
KIF11 P52732 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TP53 P04637 1/20 0.40
HTR2C P28335 2/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
CYP19A1 P11511 1/20 0.36
ADORA2A P29274 1/20 0.36
IKZF1 Q13422 1/20 0.35

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
SCHEMBL15158749 0.80 MGLL (0.39) MGLLKIF11HDAC4HDAC2HDAC8
SCHEMBL25819001 0.80 MEN1 (0.47) MGLLTP53BRD4CREBBPCYP19A1
SCHEMBL296959 0.78 HTR2C (0.54) HTR2CCYP19A1
SCHEMBL23859710 0.76 MGLL (0.49) MGLLKIF11HDAC4HDAC2HDAC8
SCHEMBL25094310 0.76 HTR2C (0.47) MGLLHDAC4HDAC2HDAC8HTR2C
SCHEMBL5729468 0.75 HTR2C (0.44) MGLLHDAC4HDAC2HDAC8HTR2C
SCHEMBL31348863 0.75 LMNA (0.51) TP53
SCHEMBL30817379 0.75 ALDH1A1 (0.52) HDAC4HTR2C
SCHEMBL25819902 0.74 DDB1 (0.44) MGLLKIF11BRD4CREBBP
SCHEMBL4402405 0.73 HTR2C (0.71) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 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 (3 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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 MGLL 3197/4885KIF11 311/4885HDAC4 1909/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 MGLL 3197/4885KIF11 311/4885HDAC4 1909/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 MGLL 4325/4885KIF11 80/4885HDAC4 1278/4885

“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.