SCHEMBL1165179

SCHEMBL1165179

Nc1nccc(-c2ccccc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.47
▸ NOS3 P29474 2/20 0.45
▸ NOS2 P35228 2/20 0.45
▸ PRKACA P17612 3/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ SMARCA2 P51531 1/20 0.44
▸ SMARCA4 P51532 1/20 0.44
▸ PBRM1 Q86U86 1/20 0.44
▸ ASIC3 Q9UHC3 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ MAP4K4 O95819 4/20 0.43
▸ FGFR1 P11362 3/20 0.43
▸ DAPK3 O43293 2/20 0.43
▸ PRKD3 O94806 2/20 0.43
▸ CSF1R P07333 2/20 0.43
▸ RET P07949 2/20 0.43
▸ FLT1 P17948 2/20 0.43
▸ LTK P29376 2/20 0.43

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
SCHEMBL12100759 0.87 MAP4K4 (0.46) GSK3BNOS3NOS2PRKACAADORA2A
SCHEMBL5973721 0.83 MAPT (0.47) NOS3NOS2ADORA2AAURKAMAP4K4
SCHEMBL15865503 0.81 NOS3 (0.54) GSK3BNOS3NOS2PRKACAADORA2A
SCHEMBL4647645 0.81 GSK3B (0.46) GSK3BNOS3NOS2PRKACAADORA2A
SCHEMBL29360194 0.81 GSK3B (0.46) GSK3BNOS3NOS2PRKACAADORA2A
Iodide SCHEMBL31385461 0.81 MAPT (0.46) NOS3NOS2ADORA2AAURKAMAP4K4
SCHEMBL17565133 0.80 CYP2A6 (0.50) TDO2HSP90AA1PTK2ALDH1A1HSD17B10
SCHEMBL13730604 0.79 NOS3 (0.52) GSK3BNOS3NOS2AURKAMAP4K4
SCHEMBL11901650 0.79 MAP4K4 (0.46) NOS3NOS2TDO2AURKAMAP4K4
SCHEMBL17555671 0.79 CDK2 (0.43) GSK3BNOS3NOS2PRKACATDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704184-A1 ANTIOXIDANT POLYMERIC DIPHENYLAMINE COMPOSITIONS BASF SE (DE) 2020-09-09 — — EP claimed
CN-111278903-A Antioxidant polymeric diphenylamine compositions 巴斯夫欧洲公司 2020-06-12 — — CN claimed
US-20190127656-A1 LUBRICANT COMPOSITIONS COMPRISING POLYMERIC DIPHENYLAMINE ANTIOXIDANTS EXXONMOBIL RES & ENG CO (US) 2019-05-02 — — US claimed
US-20190127526-A1 Antioxidant Polymeric Diphenylamine Compositions BASF INTERSERVICIOS S.A. DE C.V. (MX) 2019-05-02 — — US 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-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-10873038-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-12-22 — — US disclosed
EP-3704184-A1 ANTIOXIDANT POLYMERIC DIPHENYLAMINE COMPOSITIONS BASF SE (DE) 2020-09-09 — — EP disclosed
CN-111333615-A Heterocyclic compound and organic light-emitting device including the same 三星显示有限公司 2020-06-26 — — CN disclosed
US-20200203630-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Research & Business Foundation Sungkyunkwan University (KR) 2020-06-25 — — US disclosed
US-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-02-10 — — US disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 — — WO disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 — — EP disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 — — US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 — — WO disclosed
CN-101052640-A Pyridine methylene azolidinones and use thereof phosphoinositide inhibitors APPLIED RESEARCH SYSTEMS (AN) 2007-10-10 — — CN disclosed
WO-2007020521-A1 PYRIDOYRAZINONES AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-02-22 — — WO disclosed
EP-0099614-A2 Nitro, amino and aroylamino-N-phenylpyridinamines and their use in a process for preparing pyrido(1,4)benzodiazapines A.H. ROBINS COMPANY, INCORPORATED (US) 1984-02-01 — — 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 (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-20210050530-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NUDC, NCL, NDC1 GSK3B 3286/4885NOS3 777/4885NOS2 187/4885
US-10873038-B2 Organic electroluminescent materials and devices NUDC, NCL, NDC1 GSK3B 3286/4885NOS3 777/4885NOS2 187/4885
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 GSK3B 896/4885NOS3 678/4885NOS2 702/4885
US-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS PIK3CD, PIK3CA, PTEN GSK3B 752/4885NOS3 987/4885NOS2 1231/4885
US-11600791-B2 Organic electroluminescent materials and devices NUDC, NCL, NDC1 GSK3B 3286/4885NOS3 777/4885NOS2 187/4885

“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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