SCHEMBL29313489

SCHEMBL29313489

Cc1cccc(C(=O)Nc2nc3cc(CN4CCNCC4)ccc3n2-c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.66
MAP3K7 O43318 6/20 0.66
IRAK1 P51617 6/20 0.66
CHRM3 P20309 1/20 0.53
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
RPS6KA3 P51812 1/20 0.45
RPS6KA2 Q15349 1/20 0.45
EGFR P00533 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALK Q9UM73 4/20 0.43
SLC2A1 P11166 1/20 0.43
MET P08581 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
SCHEMBL29313493 0.92 MAP3K7 (0.77) IRAK4MAP3K7IRAK1KDM4EALDH1A1
SCHEMBL29313501 0.91 MAP3K7 (0.55) IRAK4MAP3K7IRAK1CHRM3KDM4E
SCHEMBL29313978 0.88 MAP3K7 (0.73) IRAK4MAP3K7IRAK1CHRM3EGFR
SCHEMBL20985355 0.87 IRAK4 (0.86) IRAK4MAP3K7IRAK1CHRM3RPS6KA3
SCHEMBL29313973 0.85 IRAK4 (0.74) IRAK4MAP3K7IRAK1CHRM3EGFR
SCHEMBL29313503 0.83 MAP3K7 (0.64) IRAK4MAP3K7IRAK1KDM4EALDH1A1
SCHEMBL29313509 0.81 IRAK4 (0.59) IRAK4MAP3K7IRAK1CHRM3EGFR
SCHEMBL29313593 0.81 IRAK4 (0.69) IRAK4MAP3K7IRAK1EGFRALK
SCHEMBL29313515 0.81 IRAK4 (0.69) IRAK4MAP3K7IRAK1EGFRALK
SCHEMBL29313976 0.80 MAP3K7 (0.85) IRAK4MAP3K7IRAK1EGFRALK

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 IRAK4 2/4885MAP3K7 533/4885IRAK1 1/4885

“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.