SCHEMBL5870176

SCHEMBL5870176

CO[C@]1(CO)O[C@@H](n2c3cc(F)c(F)cc3c3c4c(c5c6cc(F)c(F)cc6[nH]c5c32)C(=O)NC4=O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 15/20 0.65
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
DYRK1A Q13627 2/20 0.39
PAX8 Q06710 1/20 0.38
PRKCQ Q04759 1/20 0.38

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
SCHEMBL5869886 0.85 TOP1 (0.60) TOP1CCNE2CDK4PRKACAPRKACG
SCHEMBL5869577 0.82 TOP1 (0.66) TOP1CCNE2CDK4PRKACAPRKACG
SCHEMBL5870296 0.82 TOP1 (0.60) TOP1CCNE2CDK4PRKACAPRKACG
SCHEMBL7855047 0.80 TOP1 (0.87) TOP1PRKCQ
SCHEMBL5664034 0.79 TOP1 (1.00) TOP1PRKCQ
SCHEMBL7855006 0.79 TOP1 (1.00) TOP1PRKCQ
SCHEMBL5666580 0.78 TOP1 (0.67) TOP1CCNE2CDK4PRKACAPRKACG
SCHEMBL5668290 0.78 TOP1 (0.67) TOP1CCNE2CDK4PRKACAPRKACG
SCHEMBL6734152 0.77 TOP1 (0.86) TOP1CCNE2CDK4PRKACAPRKACG
SCHEMBL7023883 0.77 TOP1 (0.87) TOP1PRKCQ

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-7138377-B2 Topoisomerase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-6653290-B2 Sugar derivatives of indolocarbazoles; exhibit topoisomerase-I activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-25 US disclosed
US-20030203860-A1 Substituted sugar derivatives of indolopyrrolocarbazoles, useful in inhibiting the proliferatin of tumor cells BRISTOL-MYERS SQUIBB COMPANY 2003-10-30 US disclosed
US-20020068705-A1 Tumor proliferation inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-06-06 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 (2 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-20020068705-A1 Tumor proliferation inhibitors MKI67, TOP1, CCNI TOP1 2/4885CCNE2 162/4885CDK4 19/4885
US-20030203860-A1 Substituted sugar derivatives of indolopyrrolocarbazoles, useful in inhibiting the proliferatin of tumor cells TYMP, MKI67, CCNI TOP1 5/4885CCNE2 466/4885CDK4 7/4885

“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.