SCHEMBL4989662

SCHEMBL4989662

COC(=O)c1ccc([N+](=O)[O-])c2c1CC(O)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.43
TDP1 Q9NUW8 2/20 0.38
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
ALDH1A1 P00352 7/20 0.36
MAPT P10636 5/20 0.36
MAPK1 P28482 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
ABCC4 O15439 1/20 0.36
PLIN1 O60240 1/20 0.36
CACNA1F O60840 1/20 0.36
GMNN O75496 1/20 0.36
KCNK2 O95069 1/20 0.36
ABCB11 O95342 1/20 0.36

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
SCHEMBL10320128 0.88 MAOA (0.43) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL29243211 0.85 SIRT6 (0.40) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL10319983 0.85 SIRT6 (0.40) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL22032149 0.79 KDM4E (0.37) TDP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL22084664 0.79 KDM4E (0.37) TDP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL9480326 0.79 KDM4E (0.37) TDP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL10449697 0.77 PDGFRB (0.35) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL10320899 0.75 SIRT6 (0.42) SIRT6TDP1PDGFRBFGFR1PDGFRA
SCHEMBL27847953 0.75 ALDH1A1 (0.35) ALDH1A1MAPTHPGDTP53CYP3A4
SCHEMBL4266411 0.73 SLC6A3 (0.48) SIRT6TDP1PDGFRBFGFR1PDGFRA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281866-A1 5,8-DISUBSTITUTED-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL AND 5,8-DISUBSTITUTED-IMIDAZO[1,2-A]PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ENTEROPEPTIDASE JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 US disclosed
WO-2021013742-A1 5,8-DISUBSTITUTED-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL AND 5,8-DISUBSTITUTED-IMIDAZO[1,2-A]PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ENTEROPEPTIDASE JANSSEN PHARMACEUTICA NV (BE) 2021-01-28 WO disclosed
EP-2481739-B1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO LTD (CN) 2016-12-14 EP disclosed
EP-2481739-B1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO LTD (CN) 2016-12-14 EP disclosed
US-8691822-B2 Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-04-08 US disclosed
US-8691822-B2 Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-04-08 US disclosed
EP-2481739-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-08-01 EP disclosed
EP-2481739-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-08-01 EP disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
US-7407980-B2 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC (US) 2008-08-05 US disclosed
EP-1501817-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
US-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides ROCHE PALO ALTO LLC 2004-10-28 US disclosed
US-6756395-B2 CYCLIZATION OF N-(4-CYANOMETHYLPHENYL)METHANESULFONAMIDES WITH ETHYLENEDIAMINE TO FORM N-(4-IMIDAZOL-2-YLMETHYL)-PHENYL) -METHANESULFONAMIDES; INCONTINENCE, SEXUAL DYSFUNCTION, NASAL CONGESTION, AND CNS DISORDERS; ALPHA 1 ADRENERGIC AGONISTS ROCHE PALO ALTO LLC 2004-06-29 US disclosed
US-20030229130-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES ROCHE PALO ALTO LLC. 2003-12-11 US disclosed
WO-2003091236-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-06 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 (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-20040214875-A1 Imidazolinylmethyl aralkylsulfonamides RPS6KA1, RPS6KB1, RPS6KA6 SIRT6 604/4885TDP1 3208/4885PDGFRB 1532/4885
US-20220281866-A1 5,8-DISUBSTITUTED-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL AND 5,8-DISUBSTITUTED-IMIDAZO[1,2-A]PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ENTEROPEPTIDASE TMPRSS15, DPP8, SI SIRT6 1640/4885TDP1 2086/4885PDGFRB 1979/4885
US-20030229130-A1 IMIDAZOLINYLMETHYL ARALKYLSULFONAMIDES RPS6KA1, RPS6KB1, RPS6KA6 SIRT6 604/4885TDP1 3208/4885PDGFRB 1532/4885
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF PLK2, PLK3, DMPK SIRT6 1794/4885TDP1 2733/4885PDGFRB 234/4885

“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.