SCHEMBL19030281

SCHEMBL19030281

CC1(C)COc2cc(F)c([N+](=O)[O-])cc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ PGR P06401 4/20 0.42
▸ ESPL1 Q14674 1/20 0.41
▸ AKR1B1 P15121 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ NR3C1 P04150 1/20 0.35
▸ AR P10275 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL19030441 0.81 AKR1B1 (0.49) MAPTLMNAHTTAKR1B1ALDH1A1
SCHEMBL23578587 0.75 ALDH1A1 (0.41) MAPTLMNAHTTALDH1A1HIF1A
SCHEMBL8917238 0.74 NR3C2 (0.44) MAPTPGRAKR1B1ALDH1A1NR3C1
SCHEMBL30090142 0.74 NR3C2 (0.44) MAPTPGRAKR1B1ALDH1A1NR3C1
SCHEMBL15798567 0.73 POLB (0.39) MAPTLMNAHTTPGRESPL1
SCHEMBL19030880 0.73 PGR (0.43) MAPTLMNAHTTPGRESPL1
SCHEMBL19030215 0.72 MAPT (0.41) MAPTLMNAHTTAKR1B1ALDH1A1
SCHEMBL9030851 0.72 AR (0.43) MAPTLMNAHTTPGRESPL1
SCHEMBL9030857 0.72 AR (0.43) MAPTLMNAHTTPGRESPL1
SCHEMBL19030778 0.71 PGR (0.41) MAPTLMNAHTTPGRESPL1

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 MAPT 1916/4885LMNA 3215/4885HTT 4724/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 MAPT 2319/4885LMNA 3773/4885HTT 4777/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 MAPT 1916/4885LMNA 3215/4885HTT 4724/4885

“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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