SCHEMBL29313501

SCHEMBL29313501

COc1cccc(-n2c(NC(=O)c3cccc(C)c3)nc3cc(CN4CCNCC4)ccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 4/20 0.55
IRAK1 P51617 4/20 0.55
IRAK4 Q9NWZ3 4/20 0.55
CHRM3 P20309 4/20 0.51
SIRT1 Q96EB6 1/20 0.45
ADORA2A P29274 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MCHR1 Q99705 1/20 0.44
EGFR P00533 2/20 0.43
THRB P10828 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43

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
SCHEMBL29313503 0.93 MAP3K7 (0.64) MAP3K7IRAK1IRAK4ADORA2AMAPT
SCHEMBL29313489 0.91 IRAK4 (0.66) MAP3K7IRAK1IRAK4CHRM3MAPT
SCHEMBL21025639 0.89 IRAK4 (0.71) MAP3K7IRAK1IRAK4CHRM3SIRT1
SCHEMBL29313978 0.86 MAP3K7 (0.73) MAP3K7IRAK1IRAK4CHRM3EGFR
SCHEMBL29313493 0.83 MAP3K7 (0.77) MAP3K7IRAK1IRAK4MAPTTP53
SCHEMBL21025881 0.82 IRAK4 (0.82) MAP3K7IRAK1IRAK4ADORA2AMAPT
SCHEMBL29313973 0.80 IRAK4 (0.74) MAP3K7IRAK1IRAK4CHRM3EGFR
SCHEMBL20985355 0.79 IRAK4 (0.86) MAP3K7IRAK1IRAK4CHRM3EGFR
SCHEMBL29313976 0.78 MAP3K7 (0.85) MAP3K7IRAK1IRAK4EGFR
SCHEMBL29313509 0.78 IRAK4 (0.59) MAP3K7IRAK1IRAK4CHRM3EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 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 (1 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 MAP3K7 533/4885IRAK1 1/4885IRAK4 2/4885

“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.