SCHEMBL23788690

SCHEMBL23788690

B[C@@]1(O)CN(C)CC[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccccc3Cl)oc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.67
CDK1 P06493 12/20 0.67
CCND1 P24385 11/20 0.67
CCNB1 P14635 9/20 0.67
CCNB2 O95067 7/20 0.67
CCNB3 Q8WWL7 7/20 0.67
CDK9 P50750 11/20 0.66
CDK2 P24941 10/20 0.66
CCNT1 O60563 9/20 0.66
CCNA2 P20248 7/20 0.66
GSK3A P49840 4/20 0.66
GSK3B P49841 4/20 0.66
CCNE1 P24864 4/20 0.66
CDK7 P50613 3/20 0.66
PRKD3 O94806 3/20 0.66
PRKCD Q05655 3/20 0.66
CAMK2G Q13555 3/20 0.66
CDK12 Q9NYV4 3/20 0.66
CDK5 Q00535 3/20 0.66
CCND3 P30281 3/20 0.66

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
SCHEMBL23788859 1.00 CDK4 (0.67) CDK4CDK1CCND1CCNB1CCNB2
SCHEMBL23788481 0.88 CDK9 (0.70) CDK4CDK1CCND1CCNB1CCNB2
SCHEMBL23788860 0.88 CDK9 (0.63) CDK4CDK1CCND1CCNB1CCNB2
SCHEMBL23788867 0.88 CDK9 (0.70) CDK4CDK1CCND1CCNB1CCNB2
SCHEMBL23788695 0.88 CDK9 (0.63) CDK4CDK1CCND1CCNB1CCNB2
SCHEMBL23788518 0.86 CDK4 (0.60) CDK4CDK1CCND1CCNB1CCNB2
SCHEMBL23788806 0.86 CDK4 (0.60) CDK4CDK1CCND1CCNB1CCNB2
SCHEMBL666139 0.85 CDK4 (0.65) CDK4CDK1CCND1CCNB1CCNB2
Hydrochloric Acid SCHEMBL665647 0.84 CDK4 (0.66) CDK4CDK1CCND1CCNB1CCNB2
SCHEMBL21473114 0.83 CDK4 (0.76) CDK4CDK1CCND1CCNB1CCNB2

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-20210277037-A1 DEUTERATED ALVOCIDIB AND ALVOCIDIB PRODRUGS SUMITOMO PHARMA ONCOLOGY, INC. 2021-09-09 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-20210277037-A1 DEUTERATED ALVOCIDIB AND ALVOCIDIB PRODRUGS CDK4, CDK11B, CDK3 CDK4 1/4885CDK1 4/4885CCND1 25/4885

“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.