SCHEMBL25263151

SCHEMBL25263151

NC(=O)OCCc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GAA P10253 3/20 0.40
HTT P42858 2/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL18726589 0.84 ALDH1A1 (0.40) ALDH1A1HIF1ATDP1CA12CA1
SCHEMBL28958625 0.82 S1PR4 (0.45) ALDH1A1HIF1ATDP1GAAHTT
SCHEMBL13268485 0.81 ALDH1A1 (0.47) ALDH1A1HIF1ATDP1CA12CA1
SCHEMBL28693816 0.81 ALDH1A1 (0.43) ALDH1A1TDP1GAAKMT2AMAPT
SCHEMBL28289057 0.79 ALDH1A1 (0.46) ALDH1A1TDP1GAAHTTTHRB
SCHEMBL31156747 0.79 ALDH1A1 (0.55) ALDH1A1HIF1ATDP1CA12CA1
SCHEMBL18041343 0.79 ALDH1A1 (0.55) ALDH1A1HIF1ATDP1CA12CA1
SCHEMBL28290359 0.78 ALDH1A1 (0.42) ALDH1A1TDP1CA12CA1CA2
SCHEMBL3723235 0.78 ALDH1A1 (0.50) ALDH1A1HIF1ATDP1CA12CA1
SCHEMBL25253331 0.78 LMNA (0.39) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370506-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 Biomea Fusion, Inc. (US) 2024-05-22 EP disclosed
US-11945785-B2 Pyrazine compounds as inhibitors of FLT3 BIOMEA FUSION, INC. (US) 2024-04-02 US disclosed
US-20230339867-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2023-10-26 US disclosed
WO-2023129667-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 BIOMEA FUSION, INC. (US) 2023-07-06 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 (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-11945785-B2 Pyrazine compounds as inhibitors of FLT3 FLT3, MCL1, JAK2 ALDH1A1 1320/4885HIF1A 3554/4885TDP1 1238/4885
US-20230339867-A1 PYRAZINE COMPOUNDS AS INHIBITORS OF FLT3 FLT3, MCL1, CSF3R ALDH1A1 2067/4885HIF1A 4038/4885TDP1 1169/4885

“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.