SCHEMBL33525622

SCHEMBL33525622

CN(C)[C@H]1CCN(c2nc(O)c3c4c(c(Br)c(Cl)c3n2)COC4)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
HRH4 Q9H3N8 1/20 0.32
DYRK1A Q13627 1/20 0.32
CHEK2 O96017 1/20 0.31
MAP4K4 O95819 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL31242584 0.88 PIM1 (0.36) PIM1CHEK2MAP4K4HDAC6
SCHEMBL31242732 0.79 PIM1 (0.36) PIM1HRH4DYRK1AMAP4K4
SCHEMBL33526294 0.78
SCHEMBL31242781 0.78 KRAS (0.33) PIM1
SCHEMBL33525630 0.75 PIM1 (0.30) PIM1
SCHEMBL31085740 0.74 MAP4K4 (0.47) PIM1HRH4MAP4K4
SCHEMBL33525793 0.73
SCHEMBL31242393 0.70 KRAS (0.35) PIM1
SCHEMBL30587243 0.67
SCHEMBL26530411 0.67

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 PIM1 840/4885HRH4 400/4885DYRK1A 3089/4885
US-20260092075-A1 KRAS INHIBITORS KRAS, NRAS, HRAS PIM1 645/4885HRH4 451/4885DYRK1A 3168/4885

“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.