SCHEMBL23945589

SCHEMBL23945589

CC(=O)c1ccc(CNCc2ccc(-c3ccc4c(cnn4CC4CC4)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 2/20 0.47
BRD4 O60885 2/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
DGAT1 O75907 1/20 0.40
SMO Q99835 1/20 0.39
FASN P49327 4/20 0.39
CTSC P53634 1/20 0.38
HDAC3 O15379 1/20 0.37
AR P10275 1/20 0.37
KDM1A O60341 1/20 0.37
VCP P55072 1/20 0.36
CRHR1 P34998 1/20 0.36
F2 P00734 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL23788065 0.91 HDAC1 (0.48) HDAC1HDAC2BRD4RXRARXRB
SCHEMBL23788113 0.90 HDAC1 (0.46) HDAC1HDAC2BRD4RXRARXRB
SCHEMBL23806478 0.89 HDAC1 (0.45) HDAC1HDAC2BRD4RXRARXRB
SCHEMBL23807111 0.84 BRD4 (0.42) HDAC1HDAC2BRD4RXRARXRB
SCHEMBL22926182 0.79 HDAC1 (0.43) HDAC1HDAC2BRD4RXRARXRB
SCHEMBL23807637 0.77 GCGR (0.37) HDAC1HDAC2BRD4RXRARXRB
SCHEMBL23807345 0.77 CNR2 (0.36) HDAC1HDAC2BRD4RXRARXRB
SCHEMBL21996985 0.76 HDAC1 (0.43) HDAC1HDAC2BRD4RXRARXRB
SCHEMBL23806553 0.76 GCGR (0.43) HDAC1HDAC2BRD4
SCHEMBL21998159 0.76 BRD4 (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 HDAC1 502/4885HDAC2 536/4885BRD4 132/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HDAC1 502/4885HDAC2 536/4885BRD4 132/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 HDAC1 502/4885HDAC2 536/4885BRD4 132/4885

“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.