SCHEMBL22892178

SCHEMBL22892178

O=C(O)c1coc(-c2ccnc(C(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
ALDH1A1 P00352 2/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
IRAK4 Q9NWZ3 5/20 0.40
IDO1 P14902 1/20 0.39
PDE4B Q07343 3/20 0.39
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 1/20 0.37
TET3 O43151 1/20 0.37
KDM4A O75164 1/20 0.37
BBOX1 O75936 1/20 0.37
MAPT P10636 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5C P41229 1/20 0.37
ASPH Q12797 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
TET2 Q6N021 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
SCHEMBL27402019 0.88 ALDH1A1 (0.54) NOTUMALDH1A1IRAK4
SCHEMBL27401748 0.85 NOTUM (0.47) NOTUMALDH1A1HDAC1HDAC8HDAC6
SCHEMBL21997339 0.82 ALDH1A1 (0.44) ALDH1A1HDAC1HDAC8HDAC6IRAK4
SCHEMBL16898659 0.80 ALDH1A1 (0.45) ALDH1A1HDAC1HDAC8HDAC6IRAK4
SCHEMBL12800272 0.79 IRAK4 (0.55) ALDH1A1IRAK4PDE4B
SCHEMBL22892284 0.79 ALDH1A1 (0.59) ALDH1A1HDAC1HDAC8HDAC6IRAK4
SCHEMBL16896492 0.79 ALDH1A1 (0.48) ALDH1A1HDAC1HDAC8HDAC6IRAK4
SCHEMBL29505241 0.79 ALDH1A1 (0.48) ALDH1A1HDAC1HDAC8HDAC6IRAK4
SCHEMBL29505340 0.79 IRAK4 (0.55) ALDH1A1IRAK4PDE4B
SCHEMBL3436259 0.79 ALDH1A1 (0.44) ALDH1A1HDAC1HDAC8HDAC6IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 US disclosed
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 US disclosed
EP-3998264-A1 OXAZOLE COMPOUND AS MULTI-TARGETED INHIBITOR OF IRAK4 AND BTK Medshine Discovery Inc. (CN) 2022-05-18 EP disclosed
WO-2021004533-A1 OXAZOLE COMPOUND AS MULTI-TARGETED INHIBITOR OF IRAK4 AND BTK 南京明德新药研发有限公司 2021-01-14 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 (1 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-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF IRAK4, FLT3, IRAK2 NOTUM 146/4885ALDH1A1 3673/4885HDAC1 2568/4885

“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.