SCHEMBL19030446

SCHEMBL19030446

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.42
▸ ESPL1 Q14674 1/20 0.38
▸ PGR P06401 2/20 0.37
▸ WDR5 P61964 2/20 0.35
▸ MAPT P10636 5/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CTSK P43235 1/20 0.33

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
SCHEMBL19030454 0.87 AKR1B1 (0.46) AKR1B1ESPL1PGRMAPTALDH1A1
SCHEMBL19030238 0.85 AKR1B1 (0.42) AKR1B1MAPTALDH1A1LMNAMEN1
SCHEMBL19030305 0.84 AKR1B1 (0.38) AKR1B1ESPL1PGRWDR5MAPT
SCHEMBL19030464 0.83 ALDH1A1 (0.47) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL19030479 0.80 ESPL1 (0.44) AKR1B1ESPL1PGRMAPTALDH1A1
SCHEMBL19030294 0.77 ESPL1 (0.46) AKR1B1ESPL1PGRMAPTALDH1A1
SCHEMBL19030369 0.76 ESPL1 (0.41) AKR1B1ESPL1PGRMAPTALDH1A1
SCHEMBL19030023 0.76 ESPL1 (0.39) AKR1B1ESPL1PGRMAPTALDH1A1
SCHEMBL19030199 0.75 AKR1B1 (0.40) AKR1B1MAPTALDH1A1HIF1A
SCHEMBL19030437 0.74 AKR1B1 (0.41) AKR1B1ESPL1PGRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480101-B IRAK4 kinase inhibitor, preparation and application thereof 中国科学院上海药物研究所 2022-11-25 — — CN disclosed
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
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
WO-2021047677-A1 IRAK4 KINASE INHIBITOR AND PREPARATION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2021-03-18 — — WO disclosed
CN-112480101-A IRAK4 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2021-03-12 — — CN 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 1830/4885ESPL1 4242/4885PGR 2440/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 AKR1B1 1435/4885ESPL1 4469/4885PGR 2918/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 AKR1B1 1830/4885ESPL1 4242/4885PGR 2440/4885

“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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