SCHEMBL20595014

SCHEMBL20595014

C=Cc1c[nH]c(C(=O)OCC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
CYP1A2 P05177 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL29954925 0.86 KDM4E (0.43) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL2423817 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL162807 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL3809367 0.77 CYP1A2 (0.53) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL28509975 0.76 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL20595215 0.76 KDM4E (0.45) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL19358702 0.76 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL8552985 0.76 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL38659549 0.76 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL14306188 0.74 CYP1A2 (0.46) KDM4EALDH1A1HPGDHTTRECQL

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed
US-10899774-B2 IRAK4 modulators GENENTECH, INC. (US) 2021-01-26 US disclosed
CN-108950645-B Aluminum and aluminum alloy anodic oxidation nickel-free sealing agent 上海铝通化学科技有限公司 2020-10-23 CN disclosed
EP-3642199-A1 BENZOFURANS AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2020-04-29 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10899774-B2 IRAK4 modulators IRAK4, IRAK1, IRAK2 KDM4E 761/4885ALDH1A1 1862/4885HPGD 4718/4885
US-20200115388-A1 IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 761/4885ALDH1A1 1862/4885HPGD 4718/4885

“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.