SCHEMBL22405018

SCHEMBL22405018

O=C(O)N1CC[C@H](Nc2cncc(Br)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.42
BTK Q06187 10/20 0.39
EGFR P00533 8/20 0.39
KDM5A P29375 1/20 0.37
CCNK O75909 3/20 0.35
CDK12 Q9NYV4 3/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CDK7 P50613 2/20 0.35
CCNH P51946 2/20 0.35
MNAT1 P51948 2/20 0.35

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
SCHEMBL3230902 0.92 FFAR4 (0.38) JAK3BTKEGFRCCNKCDK12
SCHEMBL30091793 0.82 USP30 (0.48) BTKCCNA2CDK2
SCHEMBL22431488 0.82 USP30 (0.48) BTKCCNA2CDK2
SCHEMBL21682732 0.78 JAK2 (0.49) JAK3
SCHEMBL28508298 0.77 ALDH1A1 (0.46) JAK3CCNKCDK12
SCHEMBL2318073 0.77 BTK (0.40) JAK3BTKEGFRCCNKCDK12
SCHEMBL22404993 0.77 ALDH1A1 (0.52) CCNA2CDK2
SCHEMBL30055472 0.77 HSD11B1 (0.40) CCNKCDK12
SCHEMBL15205915 0.76 L3MBTL4 (0.41) BTKEGFRCCNKCDK12
SCHEMBL15205859 0.76 L3MBTL4 (0.41) BTKEGFRCCNKCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542249-B2 BTK inhibitor compounds ELI LILLY AND COMPANY (US) 2023-01-03 US disclosed
EP-3707133-B1 BTK INHIBITOR COMPOUNDS LILLY CO ELI (US) 2021-12-15 EP disclosed
US-20200290997-A1 BTK INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2020-09-17 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-20200290997-A1 BTK INHIBITOR COMPOUNDS BTK, SYK, LCK JAK3 23/4885BTK 1/4885EGFR 403/4885
US-11542249-B2 BTK inhibitor compounds BTK, SYK, LCK JAK3 25/4885BTK 1/4885EGFR 380/4885

“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.