SCHEMBL21840508

SCHEMBL21840508

CCOC(=O)c1nc(C(C)(C)C)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
IKBKB O14920 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 3/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 2/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL1970751 0.86 KDM4E (0.43) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL24375889 0.81 F2 (0.41) ALDH1A1HPGDKDM4ECYP1A2KMT2A
SCHEMBL2423817 0.80 KDM4E (0.47) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL3809367 0.78 CYP1A2 (0.53) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL162807 0.78 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL8647610 0.77 CYP1A2 (0.41) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL20595215 0.77 KDM4E (0.45) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL8552985 0.77 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL19358702 0.77 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL38659549 0.77 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHTTRECQL

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
WO-2025026903-A1 IMIDAZO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-02-06 WO 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
US-10899774-B2 IRAK4 modulators GENENTECH, INC. (US) 2021-01-26 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

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 ALDH1A1 1862/4885HPGD 4718/4885KDM4E 761/4885
US-20200115388-A1 IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 1862/4885HPGD 4718/4885KDM4E 761/4885

“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.