SCHEMBL6727359

SCHEMBL6727359

O=C1NC(=O)c2c1c1c3cc(F)ccc3[nH]c1c1c2c2cc(F)ccc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 19/20 1.00
PRKCA P17252 3/20 0.59
EGFR P00533 1/20 0.58
PRKD3 O94806 1/20 0.56
PRKCG P05129 1/20 0.56
PRKCB P05771 1/20 0.56
PRKCH P24723 1/20 0.56
PRKCI P41743 1/20 0.56
PRKCE Q02156 1/20 0.56
PRKCQ Q04759 1/20 0.56
PRKCZ Q05513 1/20 0.56
PRKCD Q05655 1/20 0.56
PRKD1 Q15139 1/20 0.56

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
SCHEMBL29489909 1.00 TOP1 (1.00) TOP1PRKCAEGFRPRKD3PRKCG
SCHEMBL14498681 0.93 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL7022916 0.93 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL5664777 0.93 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL3969257 0.91 TOP1 (1.00) TOP1PRKCAEGFRPRKD3PRKCG
SCHEMBL6739046 0.88 TOP1 (0.87) TOP1PRKCAPRKD3PRKCGPRKCB
SCHEMBL29489888 0.88 TOP1 (0.87) TOP1PRKCAPRKD3PRKCGPRKCB
SCHEMBL6741558 0.87 TOP1 (0.77) TOP1PRKCAEGFRPRKD3PRKCG
SCHEMBL7855047 0.87 TOP1 (0.87) TOP1PRKCAEGFRPRKD3PRKCG
SCHEMBL5667987 0.86 TOP1 (1.00) 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 10 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-6677450-B2 N12, N13-BRIDGED SUGAR DERIVATIVES OF INDOLYLOPYRROLOCARBAZOLES, USEFUL IN INHIBITING THE PROLIFERATION OF TUMOR CELLS BRISTOL-MYERS SQUIBB COMPANY 2004-01-13 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
EP-1326874-A2 TOPOISOMERASE INHIBITORS Bristol-Myers Squibb Company (US) 2003-07-16 EP disclosed
EP-1326876-A2 ANHYDRO SUGAR DERIVATIVES OF INDOLOCARBAZOLES Bristol-Myers Squibb Company (US) 2003-07-16 EP disclosed
US-20020111375-A1 Anhydro sugar derivatives of indolocarbazoles BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US disclosed
US-20020107237-A1 Topoisomerase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-08-08 US disclosed
WO-2002030941-A2 TOPOISOMERASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-18 WO 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 (3 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 1/4885PRKCA 2715/4885EGFR 4240/4885
US-20030220387-A1 ANHYDRO SUGAR DERIVATIVES OF INDOLOCARBAZOLES TOP1, TOP2A, TOP2B TOP1 1/4885PRKCA 2715/4885EGFR 4240/4885
US-20020107237-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B TOP1 1/4885PRKCA 2480/4885EGFR 4502/4885

“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.