SCHEMBL30301021

SCHEMBL30301021

CC(C)(C)OC(=O)NCCCOc1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.51
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA9 Q16790 5/20 0.51
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
PDK2 Q15119 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 2/20 0.41
MGLL Q99685 2/20 0.41
BRD4 O60885 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 1/20 0.39
CNR2 P34972 1/20 0.39
CYP1A1 P04798 1/20 0.39

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
SCHEMBL12518632 0.83 CA12 (0.55) CA12CA1CA2CA9MAPT
SCHEMBL1571346 0.83 CA12 (0.50) CA12CA1CA2CA9MAPT
SCHEMBL10086759 0.83 CA12 (0.56) CA12CA1CA2CA9LMNA
SCHEMBL6183257 0.82 CA12 (0.66) CA12CA1CA2CA9MAPT
SCHEMBL30300884 0.82 SCN9A (0.39) CA12CA1CA2CA9MAPT
SCHEMBL30301089 0.81 CA12 (0.55) CA12CA1CA2CA9GAA
SCHEMBL16450757 0.80 CA12 (0.64) CA12CA1CA2CA9GAA
SCHEMBL25718483 0.80 CA12 (0.56) CA12CA1CA2CA9MAPT
SCHEMBL5418888 0.79 MEN1 (0.55) CA12CA1CA2CA9MAPT
SCHEMBL29379386 0.79 MEN1 (0.55) CA12CA1CA2CA9MAPT

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-20250136558-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2025-05-01 US disclosed
EP-4392409-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 Biomea Fusion, Inc. (US) 2024-07-03 EP disclosed
WO-2023027966-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 BIOMEA FUSION, INC. (US) 2023-03-02 WO 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-20250136558-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 FLT3, MCL1, JAK2 CA12 4586/4885CA1 4305/4885CA2 4239/4885

“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.