Sugi Predict

Sugi Predict / Compounds / SCHEMBL6438255

SCHEMBL6438255

SCHEMBL6438255

NC=CCNc1ccc(NCC=CN)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2B Q02880 1/20 0.53
▸ KMT2A Q03164 10/20 0.50
▸ MEN1 O00255 9/20 0.50
▸ POLB P06746 3/20 0.50
▸ BLM P54132 3/20 0.50
▸ NSD2 O96028 3/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MTOR P42345 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ ADORA2A P29274 2/20 0.40
▸ MAOA P21397 2/20 0.40
▸ FGR P09769 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ HIPK2 Q9H2X6 1/20 0.40
▸ CSNK1G1 Q9HCP0 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
SCHEMBL10622223 0.91 MEN1 (0.53) TOP2BKMT2AMEN1POLBBLM
SCHEMBL7129853 0.89 MAPT (0.53) TOP2BKMT2AMEN1POLBBLM
SCHEMBL8610842 0.83 TDP2 (0.42) TOP2BKMT2AMEN1BLMNSD2
SCHEMBL8792599 0.82 ECE1 (0.52) TOP2BKMT2AMEN1POLBBLM
SCHEMBL8696633 0.80 MEN1 (0.41) TOP2BKMT2AMEN1POLBBLM
SCHEMBL5420918 0.79 KMT2A (0.57) TOP2BKMT2AMEN1POLBBLM
SCHEMBL11032696 0.76 AURKA (0.40) TOP2BKMT2AMEN1POLBBLM
SCHEMBL10891910 0.74 KMT2A (0.48) TOP2BKMT2AMEN1POLBBLM
SCHEMBL4198607 0.74 MEN1 (0.63) TOP2BKMT2AMEN1POLBBLM
SCHEMBL1426702 0.74 TOP2B (0.81) TOP2BKMT2AMEN1POLBBLM

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256034-A1 Dioxolane analogs for improved inter-cellular delivery ATTARDO GIORGIO 2005-11-17 — — US disclosed
US-6949557-B2 Hydroanthracene based compounds as anticancer agents DABUR RESEARCH FOUNDATION (IN) 2005-09-27 — — US disclosed
US-20040220197-A1 Hydroanthracene based compounds as anticancer agents DABUR RESEARCH FOUNDATION 2004-11-04 — — US disclosed
US-6747039-B2 INHIBITING CELL PROLIFERATION IN MAMMALS ALBANY MOLECULAR RESEARCH, INC. 2004-06-08 — — US disclosed
US-20030225069-A1 Aza-benzothiopyranoindazoles with antitumor activity BARCLAYS BANK PLC, AS THE COLLATERAL AGENT 2003-12-04 — — US disclosed
US-20030212061-A1 Aza-thioxanthenones with antitumor activity ALBANY MOLECULAR RESEARCH, INC. 2003-11-13 — — US disclosed
EP-1324997-A2 DIOXOLANE ANALOGS FOR IMPROVED INTER-CELLULAR DELIVERY Shire Biochem Inc. (CA) 2003-07-09 — — EP disclosed
US-20030013660-A1 Dioxolane analogs for improved inter-cellular delivery SHIRE BIOCHEM INC. (CA) 2003-01-16 — — US disclosed
WO-2002030922-A2 DIOXOLANE ANALOGS FOR IMPROVED INTER-CELLULAR DELIVERY SHIRE BIOCHEM INC. (CA) 2002-04-18 — — WO disclosed
US-6372785-B1 DRUGS FOR ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS KEITH CHAN, PRESIDENT GLOBOASIA, LLC 2002-04-16 — — US disclosed
US-4849552-A METHANOL, AROMATIC HYDROCARBON OR HALOCARBON, AZEOTROPES MALLINCKRODT, INC. (US) 1989-07-18 — — US disclosed
EP-0253836-A4 PREPARATION OF FLUOROAROMATIC COMPOUNDS IN DISPERSION OF POTASSIUM FLUORIDE. MALLINCKRODT INC (US) 1988-04-27 — — EP disclosed
EP-0253837-A4 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING BRANCHED ALKYL PYRIDINIUM SALTS. MALLINCKRODT INC (US) 1988-04-26 — — EP disclosed
EP-0253836-A1 PREPARATION OF FLUOROAROMATIC COMPOUNDS IN DISPERSION OF POTASSIUM FLUORIDE. MALLINCKRODT INC (US) 1988-01-27 — — EP disclosed
EP-0253837-A1 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING BRANCHED ALKYL PYRIDINIUM SALTS. MALLINCKRODT INC (US) 1988-01-27 — — EP disclosed
WO-1987004148-A1 CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING BRANCHED ALKYL PYRIDINIUM SALTS MALLINCKRODT, INC. (US) 1987-07-16 — — WO disclosed
WO-1987004151-A1 PREPARATION OF FLUOROAROMATIC COMPOUNDS IN DISPERSION OF POTASSIUM FLUORIDE MALLINCKRODT, INC. (US) 1987-07-16 — — WO disclosed
EP-0042940-B1 HETEROALKYLENE-BIS-ANTHRAQUINONES AMERICAN CYANAMID COMPANY (US) 1984-06-06 — — EP disclosed
EP-0042940-A1 Heteroalkylene-bis-anthraquinones AMERICAN CYANAMID COMPANY (US) 1982-01-06 — — EP disclosed
US-4278605-A ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1981-07-14 — — 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 (5 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-20030225069-A1 Aza-benzothiopyranoindazoles with antitumor activity AZI2, DUT, AADAC TOP2B 57/4885KMT2A 811/4885MEN1 2664/4885
US-20050256034-A1 Dioxolane analogs for improved inter-cellular delivery SLC19A1, SLC29A1, SLC29A2 TOP2B 157/4885KMT2A 3903/4885MEN1 1576/4885
US-20030212061-A1 Aza-thioxanthenones with antitumor activity AZI2, TPMT, MTAP TOP2B 15/4885KMT2A 1071/4885MEN1 2165/4885
US-20030013660-A1 Dioxolane analogs for improved inter-cellular delivery SLC19A1, SLC29A1, SLC29A2 TOP2B 137/4885KMT2A 3852/4885MEN1 1243/4885
US-20040220197-A1 Hydroanthracene based compounds as anticancer agents MCL1, TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TOP2B 228/4885KMT2A 2461/4885MEN1 463/4885

“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.