SCHEMBL359057

SCHEMBL359057

COc1cc(-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
CHEK1 O14757 4/20 0.60
ABCB1 P08183 9/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
ABCC1 P33527 4/20 0.54
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
LMNA P02545 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49

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
SCHEMBL30423771 1.00 ALDH1A1 (0.61) ALDH1A1TDP1CHEK1ABCB1L3MBTL1
SCHEMBL11224598 0.91 CHEK1 (0.61) ALDH1A1TDP1CHEK1ABCB1L3MBTL1
SCHEMBL7562427 0.87 ALDH1A1 (0.61) ALDH1A1TDP1ABCB1L3MBTL1ABCC1
SCHEMBL16701438 0.85 CHEK1 (0.54) ALDH1A1TDP1CHEK1ABCB1L3MBTL1
SCHEMBL1299335 0.85 SMN1; SMN2 (0.50) ALDH1A1TDP1CHEK1ABCB1L3MBTL1
SCHEMBL310270 0.84 CYP11B1 (0.59) ALDH1A1TDP1CHEK1L3MBTL1CYP11B1
SCHEMBL4608316 0.83 ABCB1 (0.44) ALDH1A1TDP1CHEK1ABCB1L3MBTL1
SCHEMBL25313062 0.83 CHEK1 (0.51) ALDH1A1TDP1CHEK1ABCB1L3MBTL1
SCHEMBL2205687 0.82 CYP11B2 (0.63) ALDH1A1TDP1CHEK1ABCB1ABCC1
SCHEMBL3903976 0.81 KIF11 (0.51) ALDH1A1TDP1CHEK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478070-A Compound, pharmaceutical composition and application thereof in field of vasodilation or antiviral 山东第一医科大学(山东省医学科学院) 2023-07-25 CN disclosed
CN-115093359-B Compound, pharmaceutical composition and application thereof in field of vasodilation or antiviral 山东第一医科大学(山东省医学科学院) 2023-06-09 CN disclosed
CN-116143763-A GAS41 targeting compound, GAS41 inhibitor and pharmaceutical composition and application thereof 清华大学 2023-05-23 CN disclosed
CN-115093359-A Compound, pharmaceutical composition and application of compound and pharmaceutical composition in field of blood vessel expansion or virus resistance 山东第一医科大学(山东省医学科学院) 2022-09-23 CN disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
CN-1130600-C Photosensitive plate with very thin photosensitive layer and its preparation and application UNIV BEIJING (CN) 2003-12-10 CN disclosed
CN-1289071-A Photosensitive plate with very thin photosensitive layer and its preparation and application UNIV BEIJING (CN) 2001-03-28 CN 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-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885TDP1 178/4885CHEK1 524/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885TDP1 178/4885CHEK1 524/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885TDP1 178/4885CHEK1 524/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885TDP1 178/4885CHEK1 524/4885

“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.