SCHEMBL19030430

SCHEMBL19030430

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ IRAK4 Q9NWZ3 8/20 0.36
▸ GPR35 Q9HC97 1/20 0.34
▸ PGK1 P00558 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ VCAM1 P19320 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
SCHEMBL19030436 0.88 AKR1B1 (0.39) AKR1B1ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL19030294 0.84 ESPL1 (0.46) AKR1B1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19030214 0.82 CYP1A2 (0.42) AKR1B1ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL19030213 0.81 IRAK4 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL19030279 0.81 IRAK4 (0.44) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL19044618 0.79 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL19030448 0.79 AKR1B1 (0.46) AKR1B1ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL19030196 0.79 GPR35 (0.39) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL23093908 0.78 RAB9A (0.38) IRAK4
SCHEMBL19030352 0.78 CYP1A2 (0.40) AKR1B1ALDH1A1CYP3A4CYP1A2CYP2C9

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480101-B IRAK4 kinase inhibitor, preparation and application thereof 中国科学院上海药物研究所 2022-11-25 — — CN disclosed
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 — — US disclosed
EP-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 — — EP disclosed
EP-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 — — EP 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-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
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
WO-2021047677-A1 IRAK4 KINASE INHIBITOR AND PREPARATION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2021-03-18 — — WO disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 — — US disclosed
US-20200115388-A1 IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-16 — — US disclosed
US-20200115388-A1 IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-16 — — US disclosed
CN-110770229-A Benzofuran compounds as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-02-07 — — CN disclosed
WO-2018234343-A1 BENZOFURANS AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-27 — — WO 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 (6 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 AKR1B1 1507/4885ALDH1A1 1232/4885CYP3A4 897/4885
US-20200115388-A1 IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 AKR1B1 1654/4885ALDH1A1 1862/4885CYP3A4 1134/4885
US-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 AKR1B1 1830/4885ALDH1A1 1146/4885CYP3A4 1141/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 AKR1B1 1435/4885ALDH1A1 1115/4885CYP3A4 1496/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 AKR1B1 1507/4885ALDH1A1 1232/4885CYP3A4 897/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 AKR1B1 1830/4885ALDH1A1 1146/4885CYP3A4 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.

Send feedback