SCHEMBL19030191

SCHEMBL19030191

CC1(C)Cc2cc([N+](=O)[O-])c(C3CC3C(=O)O)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSPA1A P0DMV8 2/20 0.36
▸ AKR1B1 P15121 1/20 0.33
▸ NR4A1 P22736 2/20 0.33
▸ FFAR4 Q5NUL3 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 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
SCHEMBL19030379 1.00 IRAK4 (0.38) IRAK4MEN1KMT2AALDH1A1HSPA1A
SCHEMBL19030161 0.91 IRAK4 (0.38) IRAK4MEN1KMT2AALDH1A1HSPA1A
SCHEMBL19030491 0.90 IRAK4 (0.47) IRAK4MEN1KMT2AALDH1A1HSPA1A
SCHEMBL19030357 0.88 IRAK4 (0.49) IRAK4MEN1KMT2AALDH1A1HSPA1A
SCHEMBL19030003 0.85 MAPT (0.39) IRAK4MEN1KMT2AALDH1A1NR4A1
SCHEMBL19029967 0.82 IRAK4 (0.45) IRAK4MEN1KMT2AALDH1A1HSPA1A
SCHEMBL19030289 0.79 IRAK4 (0.42) IRAK4MEN1KMT2AALDH1A1AKR1B1
SCHEMBL23277920 0.79 IRAK4 (0.39) IRAK4FFAR4
SCHEMBL19046113 0.79 IRAK4 (0.39) IRAK4FFAR4
SCHEMBL19045683 0.79 IRAK4 (0.39) IRAK4FFAR4

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 6 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

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 IRAK4 2/4885MEN1 3879/4885KMT2A 1557/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 IRAK4 2/4885MEN1 3780/4885KMT2A 1960/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 IRAK4 2/4885MEN1 3879/4885KMT2A 1557/4885

“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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