SCHEMBL1303527

SCHEMBL1303527

O=[N+]([O-])c1ccccc1-c1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1A1 P48729 1/20 0.50
▸ TYRO3 Q06418 1/20 0.50
▸ DYRK1B Q9Y463 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GUSB P08236 1/20 0.48
▸ MGAM O43451 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ SI P14410 2/20 0.46
▸ MGAM2 Q2M2H8 2/20 0.46
▸ MTOR P42345 1/20 0.46
▸ ADK P55263 1/20 0.46
▸ NISCH Q9Y2I1 1/20 0.46
▸ MAOB P27338 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41

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
SCHEMBL31753360 0.84 CSNK1A1 (0.42) CSNK1A1TYRO3DYRK1BALDH1A1TDP1
SCHEMBL30163620 0.84 TDP1 (0.42) CSNK1A1TYRO3DYRK1BALDH1A1TDP1
Hydrochloric Acid SCHEMBL11732214 0.83 GAA (0.46) ALDH1A1TDP1MGAMGAASI
SCHEMBL5249670 0.81 MAPT (0.56) ALDH1A1TDP1GAAMEN1KMT2A
SCHEMBL8537593 0.80 GSK3B (0.47) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL8536034 0.80 ESR1 (0.43) CSNK1A1TYRO3DYRK1BALDH1A1GAA
SCHEMBL8540810 0.80 TSHR (0.50) ALDH1A1GAANISCHMEN1KMT2A
SCHEMBL5528175 0.80 S100A4 (0.46) CSNK1A1TYRO3DYRK1BALDH1A1MTOR
SCHEMBL8542469 0.78 TSHR (0.49) CSNK1A1TYRO3DYRK1BALDH1A1GAA
SCHEMBL8541098 0.78 TDP1 (0.47) CSNK1A1TYRO3DYRK1BTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101735217-B Application of imidazole [4,5-f][1,10] phenanthroline and derivative thereof to preparation of antineoplastic drug UNIV GUANGDONG PHARM 2012-09-26 — — CN claimed
CN-101863894-B Tanshinone II A derivative and preparation method and application thereof UNIV GUANGDONG PHARM 2012-07-18 — — CN claimed
US-8053762-B2 Imidazoquinazoline derivative, process for preparing the same, and organic electronic device using the same LG CHEM, LTD. (KR) 2011-11-08 — — US claimed
WO-2007069847-A9 NOVEL IMIDAZOQUINAZOLINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM. LTD. (KR) 2010-12-16 — — WO claimed
CN-101863894-A Tanshinone II A derivative and preparation method and application thereof GUANGDONG PHARMACEUTICAL UNIVERSITY 2010-10-20 — — CN claimed
CN-101735217-A Application of imidazole [4,5-f][1,10] phenanthroline and derivative thereof to preparation of antineoplastic drug UNIV GUANGDONG PHARM 2010-06-16 — — CN claimed
EP-1960402-A1 NOVEL IMIDAZOQUINAZOLINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG Chem, Ltd. (KR) 2008-08-27 — — EP claimed
WO-2007069847-A1 NOVEL IMIDAZOQUINAZOLINE DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM. LTD. (KR) 2007-06-21 — — WO claimed
US-20070131929-A1 Novel imidazoquinazoline derivative, process for preparing the same, and organic electronic device using the same LG CHEM. LTD. (KR) 2007-06-14 — — US claimed
WO-2003027117-A1 A PROCESS FOR THE PREPARATION OF 5-(SUBSTITUTED)-10-METHOXY-2,2,4-TRIMETHYL-2,5-DIHYDRO-1H-CHROMENO[3,4-F]QUINOLINES AND DERIVATIVES THEREOF ABBOTT LABORATORIES (US) 2003-04-03 — — WO claimed
US-20200299282-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS LLC (US) 2020-09-24 — — US disclosed
US-20200299282-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS LLC (US) 2020-09-24 — — US disclosed
EP-1751118-B1 PYRIMIDINES FOR USE AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-12-03 — — EP disclosed
CN-101316853-B Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC 2014-09-24 — — CN disclosed
CN-103145738-A Imidazo [2,1-b] thiayole derivatives as SIRTUIN modulating compounds SIRTRIS PHARMACEUTICALS INC 2013-06-12 — — CN disclosed
US-4534790-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-13 — — US disclosed
US-4465505-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-14 — — US disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 — — EP disclosed
EP-0070181-A1 Silver halide light-sensitive color photographic material KONICA CORPORATION (JP) 1983-01-19 — — EP disclosed
EP-0046446-A1 Polyazaheterocyclic compounds, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1982-02-24 — — 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 (1 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-20200299282-A1 COMPOUNDS AND METHODS FOR TREATING CANCER VHL, TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CSNK1A1 1959/4885TYRO3 1391/4885DYRK1B 4838/4885

“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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