SCHEMBL29313498

SCHEMBL29313498

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.53
IRAK4 Q9NWZ3 4/20 0.51
MAP3K7 O43318 2/20 0.51
IRAK1 P51617 2/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 2/20 0.48
LMNA P02545 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
MAPT P10636 1/20 0.46
GRM5 P41594 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL29313756 0.89 EGFR (0.58) EGFRIRAK4MAP3K7IRAK1NPC1
SCHEMBL21025638 0.85 MAP3K7 (0.69) EGFRIRAK4MAP3K7IRAK1KCNK3
SCHEMBL29313493 0.80 MAP3K7 (0.77) EGFRIRAK4MAP3K7IRAK1RAB9A
SCHEMBL16755391 0.80 EGFR (0.61) EGFRNPC1RAB9AKCNK3KCNK9
SCHEMBL29313506 0.80 IRAK4 (0.62) EGFRIRAK4
SCHEMBL29313489 0.79 IRAK4 (0.66) EGFRIRAK4MAP3K7IRAK1RAB9A
SCHEMBL16755407 0.78 EGFR (0.53) EGFRNPC1RAB9ALMNAMEN1
SCHEMBL16755417 0.77 EGFR (0.80) EGFRKCNK3KCNK9LMNA
SCHEMBL5089620 0.77 RAB9A (0.70) NPC1RAB9ALMNAMAPTMEN1
SCHEMBL20985290 0.77 EGFR (0.67) EGFRIRAK4MAP3K7IRAK1RAB9A

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 349/4885IRAK4 2/4885MAP3K7 533/4885

“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.