SCHEMBL19030032

SCHEMBL19030032

CC1(C)Cc2cc([N+](=O)[O-])c(Br)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PKM P14618 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ESPL1 Q14674 1/20 0.33
▸ TYMS P04818 1/20 0.33
▸ AKR1B1 P15121 1/20 0.32
▸ HSP90AA1 P07900 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
SCHEMBL19030770 0.82 KMT2A (0.40) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL19030214 0.82 CYP1A2 (0.42) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL19030479 0.82 ESPL1 (0.44) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL19030139 0.79 SIRT6 (0.40) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL19030289 0.78 IRAK4 (0.42) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL19030389 0.78 MAPT (0.41) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL19030704 0.78 CYP1A2 (0.39) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL19030742 0.77 MAPT (0.45) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL19046011 0.76 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL19030753 0.75 ALDH1A1 (0.37) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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 12 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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 — — US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
CN-111094292-A Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-05-01 — — CN disclosed
EP-3642204-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2020-04-29 — — EP disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 — — US disclosed
WO-2018234345-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-27 — — WO 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 (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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 ALDH1A1 1232/4885MAPT 2125/4885CYP3A4 897/4885
US-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 ALDH1A1 1146/4885MAPT 1916/4885CYP3A4 1141/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 ALDH1A1 1115/4885MAPT 2319/4885CYP3A4 1496/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 1232/4885MAPT 2125/4885CYP3A4 897/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 ALDH1A1 1146/4885MAPT 1916/4885CYP3A4 1141/4885

“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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