SCHEMBL23808019

SCHEMBL23808019

CCn1cc(N)c(C(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
COMT P21964 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL17045437 0.82 RECQL (0.36) RECQLKDM4ENPC1ALDH1A1HTT
SCHEMBL25618890 0.78 HTT (0.36) RECQLKDM4ENPC1ALDH1A1HTT
SCHEMBL26388989 0.78 HTT (0.33) KDM4ENPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL28892524 0.77
SCHEMBL29911994 0.77 NPC1 (0.47) KDM4ENPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL26133925 0.74 L3MBTL1 (0.40) KDM4ENPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL16373265 0.74 ALDH1A1 (0.33) KDM4EALDH1A1ADORA2AADORA1
SCHEMBL31074723 0.73 DGAT1 (0.32) NPC1
SCHEMBL18330127 0.73 SMN1; SMN2 (0.39) RECQLKDM4ENPC1ALDH1A1HTT
SCHEMBL28052581 0.73 RECQL (0.40) RECQLKDM4ENPC1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 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
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 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 (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-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 RECQL 2866/4885KDM4E 190/4885NPC1 3159/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 RECQL 2866/4885KDM4E 190/4885NPC1 3159/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 RECQL 2866/4885KDM4E 190/4885NPC1 3159/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 RECQL 2866/4885KDM4E 190/4885NPC1 3159/4885

“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.