Sugi Predict

Sugi Predict / Compounds / SCHEMBL1600402

SCHEMBL1600402

SCHEMBL1600402

O=[N+]([O-])c1ccc(Cl)nc1Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.65
▸ GSK3B P49841 4/20 0.58
▸ MAPT P10636 4/20 0.57
▸ FGFR4 P22455 2/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GSK3A P49840 3/20 0.49
▸ AURKA O14965 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ TXNRD1 Q16881 2/20 0.48
▸ GSR P00390 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ MYC P01106 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HPGD P15428 1/20 0.45
▸ ALOX12 P18054 1/20 0.45

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
SCHEMBL22719050 0.88 MAPT (0.54) PIN1GSK3BMAPTFGFR4L3MBTL1
SCHEMBL29535826 0.88 MAPT (0.54) PIN1GSK3BMAPTFGFR4L3MBTL1
SCHEMBL9984336 0.86 MAPT (0.52) PIN1GSK3BMAPTFGFR4MAPK1
SCHEMBL15653997 0.85 MAPT (0.51) PIN1GSK3BMAPTFGFR4L3MBTL1
SCHEMBL9984006 0.85 MAPT (0.55) PIN1GSK3BMAPTFGFR4ALDH1A1
SCHEMBL718271 0.85 MAPT (0.51) PIN1GSK3BMAPTFGFR4L3MBTL1
SCHEMBL12705359 0.85 FGFR4 (0.52) PIN1GSK3BMAPTFGFR4L3MBTL1
SCHEMBL9984889 0.84 FGFR4 (0.49) PIN1GSK3BMAPTFGFR4ALDH1A1
SCHEMBL27227387 0.84 GSK3A (0.59) PIN1GSK3BMAPTFGFR4ALDH1A1
SCHEMBL29695661 0.84 GSK3B (0.61) PIN1GSK3BMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102617480-A Di-(hetero)aryl-substituted tertiary amine compounds, preparation method thereof and antitumor application thereof INST PHARM & TOXICOLOGY AMMS 2012-08-01 — — CN claimed
CN-101407467-A N-substituted arene aniline / polysubstituted diaryl ether compound, preparation and anti-tumor use thereof POISON MED INST PLA MED ACAD (CN) 2009-04-15 — — CN claimed
US-11600791-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-03-07 — — US disclosed
EP-3936512-A1 PYRIDYL CARBENE PHOSPHORESCENT EMITTERS Universal Display Corporation (US) 2022-01-12 — — EP disclosed
EP-3936512-A1 PYRIDYL CARBENE PHOSPHORESCENT EMITTERS Universal Display Corporation (US) 2022-01-12 — — EP disclosed
EP-3424935-B1 IMIDAZOPYRAZINYL CARBENE PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORP (US) 2021-08-11 — — EP disclosed
EP-3424935-B1 IMIDAZOPYRAZINYL CARBENE PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORP (US) 2021-08-11 — — EP disclosed
US-20210050530-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-02-18 — — US disclosed
US-20210050530-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-02-18 — — US disclosed
US-10873038-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-12-22 — — US disclosed
US-10873038-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-12-22 — — US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 — — US disclosed
CN-101717364-A Paradoximes as HIV reverse transcriptase inhibitor as well as preparation method and purpose thereof INST PHARM & TOXICOLOGY AMMS 2010-06-02 — — CN disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 — — EP disclosed
CN-101407467-A N-substituted arene aniline / polysubstituted diaryl ether compound, preparation and anti-tumor use thereof POISON MED INST PLA MED ACAD (CN) 2009-04-15 — — CN disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 — — EP disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 — — US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 — — 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 (6 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-20210050530-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NUDC, NCL, NDC1 PIN1 757/4885GSK3B 3286/4885MAPT 608/4885
US-10873038-B2 Organic electroluminescent materials and devices NUDC, NCL, NDC1 PIN1 757/4885GSK3B 3286/4885MAPT 608/4885
US-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A PIN1 1015/4885GSK3B 1135/4885MAPT 3744/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A PIN1 1015/4885GSK3B 1135/4885MAPT 3744/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A PIN1 1015/4885GSK3B 1135/4885MAPT 3744/4885
US-11600791-B2 Organic electroluminescent materials and devices NUDC, NCL, NDC1 PIN1 757/4885GSK3B 3286/4885MAPT 608/4885

“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.