SCHEMBL23946217

SCHEMBL23946217

CCOC(=O)c1cnn2ccc(N(C)CCC(C)(C)O)nc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.44
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 6/20 0.40
HSD17B10 Q99714 5/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
TSHR P16473 2/20 0.39
NTRK1 P04629 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
SMPD3 Q9NY59 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 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
SCHEMBL23788051 0.88 SMPD3 (0.41) TGFBR1KDM4EHSD17B10NTRK1SMPD3
SCHEMBL18208219 0.84 SMPD3 (0.54) TGFBR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21998239 0.80 TGFBR1 (0.44) TGFBR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21997996 0.79 NTRK1 (0.45) TGFBR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10204204 0.77 PDE2A (0.53) TGFBR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16946890 0.77 TGFBR1 (0.44) TGFBR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL461752 0.76 TGFBR1 (0.51) TGFBR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22763214 0.75 KDM4E (0.53) TGFBR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25162502 0.75 TGFBR1 (0.50) TGFBR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16718827 0.75 TGFBR1 (0.50) TGFBR1ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 TGFBR1 1014/4885ALDH1A1 2776/4885KDM4E 190/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TGFBR1 1014/4885ALDH1A1 2776/4885KDM4E 190/4885

“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.