SCHEMBL23945884

SCHEMBL23945884

CNc1ncnc2ccc(C#N)cc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.60
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CLK4 Q9HAZ1 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CCNC P24863 2/20 0.58
CDK8 P49336 2/20 0.58
CDKN1A P38936 1/20 0.58
CDK19 Q9BWU1 1/20 0.58
CDK1 P06493 2/20 0.54
PDE5A O76074 1/20 0.51
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAP4K4 O95819 1/20 0.50

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
SCHEMBL19117833 0.84 CCNC (0.66) IRAK4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL22549000 0.78 IRAK4 (0.50) IRAK4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL23806243 0.77 IRAK4 (0.81) IRAK4
SCHEMBL23945170 0.77 IRAK4 (0.81) IRAK4
SCHEMBL8297788 0.76 HTT (0.64) IRAK4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL2622072 0.76 HTT (0.68) IRAK4CYP1A2CYP3A4CLK4ALDH1A1
SCHEMBL19179644 0.76 IRAK4 (1.00) IRAK4
SCHEMBL5764429 0.76 LMNA (0.78) CYP1A2CYP3A4CLK4ALDH1A1MAPK1
SCHEMBL19179518 0.76 IRAK4 (1.00) IRAK4
SCHEMBL17209399 0.76 IRAK4 (0.81) IRAK4

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 IRAK4 4/4885CYP1A2 3570/4885CYP3A4 2542/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 IRAK4 4/4885CYP1A2 3570/4885CYP3A4 2542/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 IRAK4 4/4885CYP1A2 3570/4885CYP3A4 2542/4885

“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.