SCHEMBL27221084

SCHEMBL27221084

COc1ccc(CNc2nc(NCCO)nc3c(NCc4ccc(OC)cc4)nc(NCCO)nc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 4/20 0.71
CCNE1 P24864 4/20 0.71
CDK2 P24941 4/20 0.71
PRUNE1 Q86TP1 1/20 0.62
TDP1 Q9NUW8 3/20 0.54
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
CDK1 P06493 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CCNB2 O95067 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CCNB1 P14635 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
CCNA2 P20248 1/20 0.51
MAPK3 P27361 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL3106463 0.83 CCNE2 (0.58) CCNE2CCNE1CDK2KDM4EBCDIN3D
SCHEMBL7168459 0.82 CCNE2 (0.57) CCNE2CCNE1CDK2PRUNE1ALDH1A1
SCHEMBL15618715 0.82 CDK2 (0.71) CCNE2CCNE1CDK2PRUNE1TDP1
SCHEMBL3108288 0.79 CCNE2 (0.54) CCNE2CCNE1CDK2KDM4EBCDIN3D
SCHEMBL13943303 0.79 BCDIN3D (0.81) CCNE2CCNE1CDK2SMN1; SMN2BCDIN3D
SCHEMBL7011278 0.79 CDK2 (0.54) CCNE2CCNE1CDK2PRUNE1TDP1
SCHEMBL23747981 0.79 SLC2A1 (0.66) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL7971734 0.77 PRUNE1 (0.60) CCNE2CCNE1CDK2PRUNE1TDP1
SCHEMBL7960337 0.76 PRUNE1 (0.59) CCNE2CCNE1CDK2PRUNE1TDP1
SCHEMBL11045049 0.76 CCNE2 (0.51) CCNE2CCNE1CDK2PRUNE1CDK1

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-20240166770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES YALE UNIVERSITY 2024-05-23 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-20240166770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES SLC29A1, SLC29A2, SLC7A1 CCNE2 4783/4885CCNE1 4559/4885CDK2 3303/4885

“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.