SCHEMBL29313756

SCHEMBL29313756

CNc1cccc(-n2c(NC(=O)c3cccc(C)c3)nc3cc(F)ccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.58
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.44
HPGD P15428 2/20 0.44
KCNH2 Q12809 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.43
TEC P42680 1/20 0.42
TP53 P04637 2/20 0.42
MAP3K7 O43318 1/20 0.42
IRAK1 P51617 1/20 0.42
TXK P42681 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL29313498 0.89 EGFR (0.53) EGFRKCNK3KCNK9NPC1RAB9A
SCHEMBL20985290 0.88 EGFR (0.67) EGFRKCNK3KCNK9RAB9ALMNA
SCHEMBL16755391 0.82 EGFR (0.61) EGFRKCNK3KCNK9NPC1RAB9A
SCHEMBL16755417 0.81 EGFR (0.80) EGFRKCNK3KCNK9LMNATEC
SCHEMBL16755448 0.80 EGFR (0.82) EGFRKCNK3KCNK9NPC1RAB9A
SCHEMBL16755389 0.78 EGFR (0.76) EGFRNPC1RAB9ALMNAHPGD
SCHEMBL16755407 0.77 EGFR (0.53) EGFRNPC1RAB9ALMNAATM
SCHEMBL16767960 0.77 EGFR (0.57) EGFRNPC1RAB9ALMNAHPGD
SCHEMBL29313506 0.76 IRAK4 (0.62) EGFRIRAK4
SCHEMBL21025638 0.75 MAP3K7 (0.69) EGFRKCNK3LMNAIRAK4MAP3K7

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 EGFR 349/4885KCNK3 3609/4885KCNK9 4014/4885

“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.