SCHEMBL21996985

SCHEMBL21996985

COC(=O)c1ccc(CN(C)c2ccc(-c3ccc4c(cnn4CC4CC4)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 1/20 0.43
MERTK Q12866 1/20 0.40
NR1H4 Q96RI1 3/20 0.39
BRD4 O60885 2/20 0.39
PTGER4 P35408 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
MELK Q14680 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HDAC3 O15379 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 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
SCHEMBL23788113 0.86 HDAC1 (0.46) HDAC1HDAC2MERTKBRD4PTGER4
SCHEMBL21997736 0.84 HDAC1 (0.41) HDAC1HDAC2MERTKNR1H4BRD4
SCHEMBL23467059 0.80 HDAC1 (0.57) HDAC1HDAC2MERTKBRD4PTGER4
SCHEMBL23945589 0.76 HDAC1 (0.47) HDAC1HDAC2BRD4RXRARXRB
SCHEMBL31577893 0.76 HDAC1 (0.40) HDAC1HDAC2NR1H4BRD4PTGER4
SCHEMBL21997131 0.76 HDAC1 (0.40) HDAC1HDAC2NR1H4BRD4PTGER4
SCHEMBL23788065 0.75 HDAC1 (0.48) HDAC1HDAC2NR1H4BRD4PTGER4
SCHEMBL23806478 0.74 HDAC1 (0.45) HDAC1HDAC2BRD4RXRARXRB
SCHEMBL24338421 0.74 CHRM1 (0.49) HDAC1HDAC2MERTKNR1H4BRD4
SCHEMBL22926182 0.74 HDAC1 (0.43) HDAC1HDAC2BRD4RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163042-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-05-22 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 (4 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-20250163042-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HDAC1 502/4885HDAC2 536/4885MERTK 497/4885
US-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 HDAC1 502/4885HDAC2 536/4885MERTK 497/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 HDAC1 502/4885HDAC2 536/4885MERTK 497/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HDAC1 502/4885HDAC2 536/4885MERTK 497/4885

“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.