SCHEMBL19030213

SCHEMBL19030213

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 17/20 0.44
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SRC P12931 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL19030294 0.84 ESPL1 (0.46) IRAK4ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL19030430 0.81 AKR1B1 (0.41) IRAK4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19030279 0.81 IRAK4 (0.44) IRAK4ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL19030057 0.78 IRAK4 (0.45) IRAK4
SCHEMBL19030128 0.77 IRAK4 (0.52) IRAK4
SCHEMBL19030543 0.77 IRAK4 (0.52) IRAK4ALDH1A1LMNA
SCHEMBL19044618 0.76 ALDH1A1 (0.45) IRAK4ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL23093908 0.75 RAB9A (0.38) IRAK4
SCHEMBL19030096 0.75 IRAK4 (0.49) IRAK4
SCHEMBL19029884 0.75 ALDH1A1 (0.37) ALDH1A1LMNASRCCYP1A2CYP2C9

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 IRAK4 2/4885ALDH1A1 1146/4885LMNA 3215/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 IRAK4 2/4885ALDH1A1 1115/4885LMNA 3773/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 IRAK4 2/4885ALDH1A1 1146/4885LMNA 3215/4885

“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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