SCHEMBL9928610

SCHEMBL9928610

CC(=O)c1cccc(C(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IRAK4 Q9NWZ3 10/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 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
SCHEMBL12658771 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EALOX15TSHRACMSD
SCHEMBL6122425 0.82 KDM4E (0.61) PGK1PGK2KDM4EALOX15TSHR
SCHEMBL29375171 0.82 KDM4E (0.61) PGK1PGK2KDM4EALOX15TSHR
SCHEMBL9927086 0.81 PGK1 (0.38) PGK1PGK2KDM4EALOX15TSHR
SCHEMBL8373697 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EALOX15TSHRACMSD
SCHEMBL18839188 0.81 PGK1 (0.44) PGK1PGK2KDM4EALOX15TSHR
SCHEMBL29444559 0.81 PIM1 (0.43) PGK1PGK2KDM4EALOX15TSHR
SCHEMBL25497815 0.81 PGK1 (0.36) PGK1PGK2KDM4EALOX15TSHR
SCHEMBL22234567 0.81 PIM1 (0.43) PGK1PGK2KDM4EALOX15TSHR
SCHEMBL8373694 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EALOX15TSHRACMSD

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-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 US disclosed
WO-2017108744-A1 NOVEL SUBSTITUTED INDAZOLES, METHODS FOR PRODUCING SAME, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAME, AND USE OF SAME TO PRODUCE DRUGS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-29 WO disclosed
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 US 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 (5 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-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 3852/4885PGK1 1428/4885PGK2 1064/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 ALDH1A1 3935/4885PGK1 1215/4885PGK2 983/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885PGK1 2157/4885PGK2 2022/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885PGK1 2157/4885PGK2 2022/4885
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885PGK1 2157/4885PGK2 2022/4885

“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.