Sugi Predict

Sugi Predict / Compounds / SCHEMBL359733

SCHEMBL359733

SCHEMBL359733

COc1c(C)cc(C)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TSHR P16473 4/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ TPMT P51580 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 2/20 0.40

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
SCHEMBL4653538 0.90 GPR35 (0.57) GPR35MEN1KMT2ATSHRCYP3A4
SCHEMBL13000074 0.85 ACHE (0.59) GPR35MEN1KMT2ATSHRCYP3A4
SCHEMBL5491264 0.83 ALDH1A1 (0.58) GPR35MEN1KMT2ATSHRCYP3A4
SCHEMBL15872024 0.83 MAPK1 (0.50) GPR35MEN1KMT2ATSHRCYP3A4
SCHEMBL10426800 0.81 TSHR (0.53) GPR35MEN1KMT2ATSHRCYP3A4
SCHEMBL3364705 0.81 GPR35 (0.48) GPR35MEN1KMT2ATSHRCYP3A4
SCHEMBL30079502 0.81 GPR35 (0.48) GPR35MEN1KMT2ATSHRCYP3A4
SCHEMBL3292527 0.81 GPR35 (0.48) GPR35MEN1KMT2ATSHRCYP3A4
SCHEMBL7042203 0.81 TSHR (0.44) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL47844 0.80 GPR35 (0.52) GPR35MEN1KMT2ATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-105085576-B A kind of pyridine amido chromium complex and its preparation method and application 华东理工大学 2017-12-22 — — CN disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 — — EP disclosed
US-9815825-B2 Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED, INC. (US) 2017-11-14 — — US disclosed
US-9815825-B2 Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED, INC. (US) 2017-11-14 — — US disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 — — EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 — — US disclosed
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2016-02-11 — — US disclosed
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2016-02-11 — — US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — US disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 — — EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 — — US disclosed
EP-0335274-A2 Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1989-10-04 — — EP disclosed
US-4656310-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-04-07 — — US disclosed
US-4532355-A Substituted triaryl phosphonium derivatives HOFFMANN-LA ROCHE INC. (US) 1985-07-30 — — US disclosed
US-4319048-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-03-09 — — US disclosed
US-4224244-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-09-23 — — US disclosed
US-4215215-A 9-Phenyl-nonate traene compounds HOFFMANN-LA ROCHE INC. (US) 1980-07-29 — — US disclosed
US-4105681-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-08-08 — — US 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 GPR35 1004/4885MEN1 3338/4885KMT2A 597/4885
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES HSP90B1, HSPD1, HSPE1 GPR35 4420/4885MEN1 3455/4885KMT2A 4677/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 GPR35 1004/4885MEN1 3338/4885KMT2A 597/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 GPR35 1004/4885MEN1 3338/4885KMT2A 597/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 GPR35 1004/4885MEN1 3338/4885KMT2A 597/4885

“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.