Sugi Predict

Sugi Predict / Compounds / SCHEMBL6736290

SCHEMBL6736290

SCHEMBL6736290

O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)C[C@H](O)[C@H]1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 15/20 0.57
▸ CDK4 P11802 3/20 0.40
▸ CCND1 P24385 3/20 0.40
▸ PRKACA P17612 3/20 0.40
▸ PRKACG P22612 3/20 0.40
▸ PRKACB P22694 3/20 0.40
▸ CCNE2 O96020 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ PRKCQ Q04759 2/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKCB P05771 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKCH P24723 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ PRKCE Q02156 1/20 0.38
▸ PRKCZ Q05513 1/20 0.38
▸ PRKCD Q05655 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
SCHEMBL5869927 0.93 TOP1 (0.55) TOP1CDK4CCND1PRKACAPRKACG
SCHEMBL7031130 0.91 TOP1 (0.54) TOP1CDK4CCND1PRKACAPRKACG
SCHEMBL7861913 0.87 TOP1 (0.65) TOP1PRKCA
SCHEMBL7024637 0.86 TOP1 (0.51) TOP1CDK4CCND1PRKACAPRKACG
SCHEMBL5870241 0.85 TOP1 (0.51) TOP1CDK4CCND1PRKACAPRKACG
SCHEMBL7031134 0.85 TOP1 (0.55) TOP1CDK4CCND1PRKACAPRKACG
SCHEMBL6736646 0.85 TOP1 (0.52) TOP1CDK4CCND1PRKACAPRKACG
SCHEMBL7862848 0.85 TOP1 (0.72) TOP1CDK4CCND1PRKACAPRKACG
SCHEMBL5870514 0.83 TOP1 (0.61) TOP1PRKCA
SCHEMBL6724824 0.83 TOP1 (0.61) TOP1PRKCA

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 6 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-6610727-B2 Antitumor agents BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 — — US disclosed
EP-1326876-A2 ANHYDRO SUGAR DERIVATIVES OF INDOLOCARBAZOLES Bristol-Myers Squibb Company (US) 2003-07-16 — — EP disclosed
US-20030083271-A1 Topoisomerase I selective cytotoxic sugar derivatives of indolopyrrolocarbazoles BRISTOL-MYERS SQUIBB COMPANY 2003-05-01 — — US disclosed
US-20020111375-A1 Anhydro sugar derivatives of indolocarbazoles BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 — — US disclosed
WO-2002030942-A2 ANHYDRO SUGAR DERIVATIVES OF INDOLOCARBAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-18 — — 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 1/4885CDK4 127/4885CCND1 120/4885
US-20030083271-A1 Topoisomerase I selective cytotoxic sugar derivatives of indolopyrrolocarbazoles TOP1, TOP2A, TOP2B TOP1 1/4885CDK4 169/4885CCND1 444/4885

“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.