SCHEMBL6734152

SCHEMBL6734152

O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)C(F)(F)[C@H](O)[C@H]1O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 19/20 0.86
CCNE2 O96020 1/20 0.42
CDK4 P11802 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
PRKCA P17252 2/20 0.41
EGFR P00533 1/20 0.41
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 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
SCHEMBL5667987 0.87 TOP1 (1.00) TOP1CCNE2CDK4PRKACAPRKACG
SCHEMBL7855047 0.86 TOP1 (0.87) TOP1PRKCAEGFRPRKD3PRKCG
SCHEMBL5664034 0.84 TOP1 (1.00) TOP1PRKCAEGFRPRKD3PRKCG
SCHEMBL7862848 0.84 TOP1 (0.72) TOP1CCNE2CDK4PRKACAPRKACG
SCHEMBL7855006 0.82 TOP1 (1.00) TOP1PRKCAEGFRPRKD3PRKCG
SCHEMBL6742356 0.81 TOP1 (0.68) TOP1CCNE2CDK4PRKACAPRKACG
SCHEMBL7023883 0.81 TOP1 (0.87) TOP1PRKCAEGFRPRKD3PRKCG
SCHEMBL5668290 0.80 TOP1 (0.67) TOP1CCNE2CDK4PRKACAPRKACG
SCHEMBL5666580 0.80 TOP1 (0.67) TOP1CCNE2CDK4PRKACAPRKACG
SCHEMBL7030485 0.80 TOP1 (0.74) TOP1CCNE2CDK4PRKACAPRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686385-B2 USEFUL IN INHIBITING THE PROLIFERATION OF TUMOR CELLS BRISTOL-MYERS SQUIBB COMPANY 2004-02-03 US disclosed
US-20030220387-A1 ANHYDRO SUGAR DERIVATIVES OF INDOLOCARBAZOLES BRISTOL-MYERS SQUIBB COMPANY 2003-11-27 US disclosed
US-6610727-B2 Antitumor agents BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-20020111375-A1 Anhydro sugar derivatives of indolocarbazoles BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US disclosed
EP-0971717-B1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
EP-0971717-A4 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL MYERS SQUIBB CO (US) 2000-04-12 EP disclosed
EP-0971717-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES Bristol-Myers Squibb Company (US) 2000-01-19 EP disclosed
WO-1998007433-A1 CYTOTOXIC AMINO SUGAR AND RELATED SUGAR DERIVATIVES OF INDOLOPYRROLOCARBAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-26 WO 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-20020111375-A1 Anhydro sugar derivatives of indolocarbazoles TOP1, TOP2A, TOP2B TOP1 1/4885CCNE2 587/4885CDK4 127/4885
US-20030220387-A1 ANHYDRO SUGAR DERIVATIVES OF INDOLOCARBAZOLES TOP1, TOP2A, TOP2B TOP1 1/4885CCNE2 587/4885CDK4 127/4885

“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.