SCHEMBL7970173

SCHEMBL7970173

COc1ccc(CNc2nc(OCC(C)O)nc3c(NCc4ccc(OC)cc4)nc(OCC(C)O)nc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
CDK1 P06493 4/20 0.53
PRUNE1 Q86TP1 1/20 0.52
CCNE2 O96020 7/20 0.50
CCNE1 P24864 7/20 0.50
CDK2 P24941 7/20 0.50
CDK5 Q00535 7/20 0.49
CDK5R1 Q15078 7/20 0.49
CCNB1 P14635 3/20 0.49
CCNB2 O95067 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49
CCNT1 O60563 1/20 0.48
PDE5A O76074 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
CCNH P51946 1/20 0.48
MNAT1 P51948 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE10A Q9Y233 1/20 0.48

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
SCHEMBL7971734 0.82 PRUNE1 (0.60) TDP1CDK1PRUNE1CCNE2CCNE1
SCHEMBL7960337 0.81 PRUNE1 (0.59) TDP1CDK1PRUNE1CCNE2CCNE1
SCHEMBL3682525 0.77 PRUNE1 (0.67) TDP1CDK1PRUNE1CCNE2CCNE1
SCHEMBL15619030 0.73 CCNE2 (0.68) TDP1CDK1PRUNE1CCNE2CCNE1
SCHEMBL15618715 0.72 CDK2 (0.71) TDP1CDK1PRUNE1CCNE2CCNE1
SCHEMBL1394954 0.70 CCNE1 (0.77) TDP1CDK1CCNE2CCNE1CDK2
Myoseverin SCHEMBL13325947 0.70 TDP1 (1.00) TDP1CDK1CCNE2CCNE1CDK2
Myoseverin SCHEMBL29376276 0.70 TDP1 (1.00) TDP1CDK1CCNE2CCNE1CDK2
SCHEMBL1496625 0.69 LMNA (0.67)
SCHEMBL7960318 0.69 TP53 (0.46) CDK1PRUNE1CCNE2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 US claimed
US-20240166770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES YALE UNIVERSITY 2024-05-23 US disclosed
WO-2021077070-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES YALE UNIVERSITY (US) 2021-04-22 WO disclosed
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 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-20240166770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF CELL-PENETRATING ANTIBODIES SLC29A1, SLC29A2, SLC7A1 TDP1 636/4885CDK1 3685/4885PRUNE1 3761/4885

“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.