SCHEMBL19030023

SCHEMBL19030023

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESPL1 Q14674 1/20 0.39
▸ AKR1B1 P15121 1/20 0.38
▸ PGR P06401 2/20 0.37
▸ MAPT P10636 7/20 0.35
▸ IRAK4 Q9NWZ3 5/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP2D6 P10635 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL19030693 0.83 IRAK4 (0.48) AKR1B1MAPTIRAK4LMNAHTT
SCHEMBL19030479 0.81 ESPL1 (0.44) ESPL1AKR1B1PGRMAPTIRAK4
SCHEMBL19030048 0.81 IRAK4 (0.40) ESPL1AKR1B1PGRMAPTIRAK4
SCHEMBL19030317 0.79 MAPT (0.44) MAPTIRAK4LMNAALDH1A1SMN1; SMN2
SCHEMBL19030454 0.78 AKR1B1 (0.46) ESPL1AKR1B1PGRMAPTIRAK4
SCHEMBL19030294 0.78 ESPL1 (0.46) ESPL1AKR1B1PGRMAPTIRAK4
SCHEMBL19030369 0.77 ESPL1 (0.41) ESPL1AKR1B1PGRMAPTLMNA
SCHEMBL19030446 0.76 AKR1B1 (0.42) ESPL1AKR1B1PGRMAPTLMNA
SCHEMBL19030437 0.75 AKR1B1 (0.41) ESPL1AKR1B1PGRMAPTIRAK4
SCHEMBL19045147 0.74 IRAK4 (0.32) IRAK4

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 ESPL1 4242/4885AKR1B1 1830/4885PGR 2440/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 ESPL1 4469/4885AKR1B1 1435/4885PGR 2918/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 ESPL1 4242/4885AKR1B1 1830/4885PGR 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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