SCHEMBL33525563

SCHEMBL33525563

O=C1[C@H](Nc2ncnc3c(Cl)c(Br)c4c(c23)COC4)CC[C@H]2CCCN12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.38
CD69 Q07108 2/20 0.34
CYP3A4 P08684 1/20 0.32
TEC P42680 1/20 0.32
TXK P42681 1/20 0.32
BMX P51813 1/20 0.32
ITK Q08881 1/20 0.32

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
SCHEMBL33525795 0.81
SCHEMBL33526242 0.81
SCHEMBL33525810 0.80 BTK (0.33) BTKCD69
SCHEMBL33526129 0.80 BTK (0.34) BTKCD69
SCHEMBL33526960 0.80
SCHEMBL33526303 0.80
SCHEMBL33525626 0.77
SCHEMBL33526050 0.77
SCHEMBL33526366 0.77 BTK (0.39) BTKCD69CYP3A4TECTXK
SCHEMBL33525649 0.73 BTK (0.35) BTKCD69CYP3A4TECTXK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600733-B2 KRAS inhibitors ELI LILLY AND COMPANY (US) 2026-04-14 US disclosed
US-20260092075-A1 KRAS INHIBITORS LILLY CO ELI (US) 2026-04-02 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 (2 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-12600733-B2 KRAS inhibitors KRAS, NRAS, HRAS BTK 350/4885CD69 4692/4885CYP3A4 1708/4885
US-20260092075-A1 KRAS INHIBITORS KRAS, NRAS, HRAS BTK 389/4885CD69 4745/4885CYP3A4 1584/4885

“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.