SCHEMBL25477254

SCHEMBL25477254

C=C1CCC(N2Cc3c(NC(C)C)cccc3C2=O)C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 15/20 0.52
DDB1 Q16531 3/20 0.52
IKZF3 Q9UKT9 7/20 0.51
BRD4 O60885 3/20 0.51
IKZF1 Q13422 2/20 0.51
TNF P01375 2/20 0.51
IL1B P01584 1/20 0.51
MAP1LC3B Q9GZQ8 2/20 0.47
CSNK1A1 P48729 1/20 0.44
STAT3 P40763 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL18666833 0.89 CRBN (0.66) CRBNDDB1IKZF3BRD4IKZF1
SCHEMBL21304408 0.89 CRBN (0.66) CRBNDDB1IKZF3BRD4IKZF1
SCHEMBL17897664 0.85 CRBN (0.52) CRBNDDB1IKZF3BRD4IKZF1
SCHEMBL21602724 0.84 CRBN (0.51) CRBNDDB1IKZF3BRD4IKZF1
SCHEMBL25679573 0.84 CRBN (0.61) CRBNDDB1IKZF3BRD4IKZF1
SCHEMBL25467697 0.84 CRBN (0.55) CRBNDDB1IKZF3BRD4IKZF1
SCHEMBL25467709 0.84 CRBN (0.55) CRBNDDB1IKZF3BRD4IKZF1
SCHEMBL18878463 0.84 CRBN (0.55) CRBNDDB1IKZF3BRD4IKZF1
SCHEMBL425119 0.82 CRBN (0.49) CRBNDDB1IKZF3BRD4IKZF1
SCHEMBL26141973 0.82 CRBN (0.58) CRBNDDB1IKZF3BRD4IKZF1

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-11744896-B2 Compositions, use, and method for CDK2-PROTACs for cancer therapy and hearing loss CREIGHTON UNIVERSITY (US) 2023-09-05 US disclosed
US-20230235077-A1 MATERIALS AND METHODS OF TREATING CANCER THE GENERAL HOSPITAL CORPORATION (US) 2023-07-27 US disclosed
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-25 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-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF CDK9, CDK19, CRBN CRBN 3/4885DDB1 603/4885IKZF3 1406/4885
US-20230235077-A1 MATERIALS AND METHODS OF TREATING CANCER MALT1, CD274, TP53 CRBN 344/4885DDB1 26/4885IKZF3 688/4885
US-11744896-B2 Compositions, use, and method for CDK2-PROTACs for cancer therapy and hearing loss CDK2, CDK20, CDK2AP2 CRBN 126/4885DDB1 179/4885IKZF3 1775/4885

“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.