SCHEMBL31435969

SCHEMBL31435969

COc1nn(C2CCNCC2)cc1-c1cnc2c(c1)c(-c1cccc(F)c1)c(Cl)n2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 3/20 0.38
EIF2AK3 Q9NZJ5 2/20 0.34
PAK1 Q13153 4/20 0.33
SIK1 P57059 1/20 0.33
SIK3 Q9Y2K2 1/20 0.33
HTR6 P50406 2/20 0.33
MET P08581 2/20 0.32
SCN9A Q15858 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
ALK Q9UM73 2/20 0.32
KDM1A O60341 1/20 0.32
TLR8 Q9NR97 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
SCHEMBL31435973 0.92 CYP3A4 (0.35) EIF2AK3HTR6METSCN9APIM1
SCHEMBL31436005 0.90 MAP4K3 (0.37) MAP4K3EIF2AK3PAK1SIK1SIK3
SCHEMBL30365155 0.86 PTPN11 (0.40) MAP4K3EIF2AK3PAK1SIK1SIK3
SCHEMBL31435977 0.83 PTPN11 (0.39) MAP4K3PAK1SIK1SIK3HTR6
SCHEMBL31435980 0.83 MAP4K3 (0.38) MAP4K3PAK1HTR6METALK
SCHEMBL31435974 0.83 ELANE (0.32) MAP4K3PAK1MET
SCHEMBL31436018 0.82 CHRM3 (0.34) HTR6METPIM1PIM2
SCHEMBL31435900 0.82 MAP4K3 (0.41) MAP4K3PAK1HTR6METALK
SCHEMBL31435979 0.82 PTPN11 (0.40) MAP4K3HTR6PIM1PIM2
SCHEMBL31435920 0.78 PTPN11 (0.41) MAP4K3HTR6PIM1PIM2

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-20250019378-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES AS TYRO3 INHIBITORS HALIA THERAPEUTICS INC (US) 2025-01-16 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-20250019378-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES AS TYRO3 INHIBITORS TYRO3, TH, TYR MAP4K3 262/4885EIF2AK3 3847/4885PAK1 794/4885

“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.