SCHEMBL19030305

SCHEMBL19030305

COC(=O)C1(C(F)(F)F)Cc2cc([N+](=O)[O-])c(F)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.38
▸ MAPT P10636 5/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ WDR5 P61964 2/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ESPL1 Q14674 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA5 P08648 1/20 0.31

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
SCHEMBL19030520 0.85 AKR1B1 (0.40) AKR1B1MAPTTDP1MEN1KMT2A
SCHEMBL19030227 0.85 MAPT (0.44) MAPTTDP1MEN1KMT2ARAB9A
SCHEMBL19030446 0.84 AKR1B1 (0.42) AKR1B1MAPTWDR5MEN1KMT2A
SCHEMBL19046073 0.79 IRAK4 (0.32) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL19030396 0.75 PDK2 (0.39) AKR1B1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL19030479 0.74 ESPL1 (0.44) AKR1B1MAPTTDP1MEN1KMT2A
SCHEMBL19030454 0.74 AKR1B1 (0.46) AKR1B1MAPTTDP1MEN1KMT2A
SCHEMBL19030023 0.73 ESPL1 (0.39) AKR1B1MAPTTDP1ESPL1LMNA
SCHEMBL4453974 0.73 PPARA (0.39) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL22714335 0.73 CA1 (0.35) MAPTMEN1KMT2ARAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 — — US disclosed
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 — — CN disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
EP-3394066-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-10-31 — — EP disclosed
US-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2018-10-18 — — US disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — WO disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — 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 (3 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-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 AKR1B1 1830/4885MAPT 1916/4885TDP1 120/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 AKR1B1 1435/4885MAPT 2319/4885TDP1 124/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 AKR1B1 1830/4885MAPT 1916/4885TDP1 120/4885

“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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