SCHEMBL21997339

SCHEMBL21997339

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HDAC1 Q13547 6/20 0.44
HDAC8 Q9BY41 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
PDE4B Q07343 6/20 0.43
KDM4E B2RXH2 2/20 0.40
KDM6B O15054 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40
BBOX1 O75936 1/20 0.40
MAPT P10636 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
ASPH Q12797 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
TET2 Q6N021 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
KDM7A Q6ZMT4 1/20 0.40
KDM8 Q8N371 1/20 0.40
TET1 Q8NFU7 1/20 0.40

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
SCHEMBL16898659 0.84 ALDH1A1 (0.45) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL3436259 0.82 ALDH1A1 (0.44) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL29505340 0.82 IRAK4 (0.55) ALDH1A1PDE4BIRAK4
SCHEMBL22892284 0.82 ALDH1A1 (0.59) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL29505241 0.82 ALDH1A1 (0.48) ALDH1A1HDAC1HDAC8HDAC6S1PR1
SCHEMBL12800272 0.82 IRAK4 (0.55) ALDH1A1PDE4BIRAK4
SCHEMBL16896492 0.82 ALDH1A1 (0.48) ALDH1A1HDAC1HDAC8HDAC6S1PR1
SCHEMBL22892178 0.82 NOTUM (0.51) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL29692702 0.80 CYP1A2 (0.41) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL16898781 0.80 CYP1A2 (0.41) ALDH1A1HDAC1HDAC8HDAC6PDE4B

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-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 US disclosed
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 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 (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-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885HDAC1 502/4885HDAC8 471/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885HDAC1 502/4885HDAC8 471/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885HDAC1 502/4885HDAC8 471/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885HDAC1 502/4885HDAC8 471/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885HDAC1 502/4885HDAC8 471/4885

“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.