SCHEMBL240998

SCHEMBL240998

Nc1cc(I)c(I)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.54
▸ TDP1 Q9NUW8 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ CYP3A4 P08684 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL29534248 1.00 PTK2 (0.54) PTK2TDP1MEN1KMT2ACA1
SCHEMBL15337919 0.85 PTK2 (0.38) PTK2CA1CA2CA9CA12
SCHEMBL10027390 0.83 PTK2 (0.43) PTK2TDP1MEN1KMT2ACA1
SCHEMBL30391007 0.77 PTK2 (0.39) PTK2CA1CA2CA9ALDH1A1
SCHEMBL2264764 0.77 GAA (0.53) PTK2TDP1CA1CA2CA9
SCHEMBL23041366 0.77 CD44 (0.48) PTK2TDP1CYP3A4ALOX15SMN1; SMN2
SCHEMBL19884912 0.77 PTK2 (0.39) PTK2CA1CA2CA9ALDH1A1
SCHEMBL17298240 0.77 CYP3A4 (0.55) TDP1MEN1KMT2ACYP3A4ALOX15
SCHEMBL30490095 0.77 GAA (0.53) PTK2TDP1CA1CA2CA9
SCHEMBL19692692 0.72 PTK2 (0.33) PTK2CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2023-10-03 — — US disclosed
US-11446294-B2 Non-platinum-based anti-cancer compounds for use in targeted chemotherapy LU QING BIN (CA) 2022-09-20 — — US disclosed
EP-4015511-A1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY (US) 2022-06-22 — — EP disclosed
CN-114380700-A Non-platinum based anti-cancer compounds for targeted chemotherapy 卢庆彬 2022-04-22 — — CN disclosed
EP-3578176-A1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY Lu, Qing-Bin (CA) 2019-12-11 — — EP disclosed
EP-2935215-B1 RADIOSENSITIZER COMPOUNDS FOR USE IN COMBINATION WITH RADIATION LU QING BIN (CA) 2019-11-13 — — EP disclosed
EP-3055287-B1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY LU QING BIN (CA) 2019-11-06 — — EP disclosed
US-10463662-B2 Non-platinum-based anti-cancer compounds for use in targeted chemotherapy LU QING BIN (CA) 2019-11-05 — — US disclosed
US-10463662-B2 Non-platinum-based anti-cancer compounds for use in targeted chemotherapy LU QING BIN (CA) 2019-11-05 — — US disclosed
US-9655965-B2 Radiosensitizer compounds for use in combination with radiation Lu qing-bin (CA) 2017-05-23 — — US disclosed
US-20110015388-A1 Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom UNITED STATES DEPARTMENT OF ENERGY 2011-01-20 — — US disclosed
US-20110015388-A1 Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom UNITED STATES DEPARTMENT OF ENERGY 2011-01-20 — — US disclosed
US-20110015388-A1 Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom UNITED STATES DEPARTMENT OF ENERGY 2011-01-20 — — US disclosed
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2009-03-12 — — US disclosed
WO-2005123737-A9 CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF TY OF ARIZONA ARIZONA BOARD OF (US) 2006-04-06 — — WO disclosed
WO-2005123737-A2 CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2005-12-29 — — WO disclosed
EP-0029658-A1 Salts of dihalo-2-quinoxaline carboxylic acids, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1981-06-03 — — EP disclosed
US-4264600-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-04-28 — — US disclosed
US-4252954-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-02-24 — — US disclosed
EP-0010426-A1 Pharmaceutical composition containing 3,4-dihydro-3-oxo-2-quinoxalines, novel such quinoxalines and processes for the production thereof ELI LILLY AND COMPANY (US) 1980-04-30 — — EP 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 (4 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-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds SOD1, ME3, ME2 PTK2 3488/4885TDP1 2577/4885MEN1 848/4885
US-10463662-B2 Non-platinum-based anti-cancer compounds for use in targeted chemotherapy TOP2B, POLR2B, RB1 PTK2 2691/4885TDP1 1110/4885MEN1 3852/4885
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC9A3, SLC18A2, SLC9A2 PTK2 1963/4885TDP1 1229/4885MEN1 1440/4885
US-11446294-B2 Non-platinum-based anti-cancer compounds for use in targeted chemotherapy TOP2B, RB1, POLR2B PTK2 2631/4885TDP1 1086/4885MEN1 3763/4885

“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.

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