SCHEMBL31452059

SCHEMBL31452059

O=C(Nc1ccccn1)c1ncn2c(=O)n(CCOC(F)(F)F)nnc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RIPK1 Q13546 1/20 0.36
GAA P10253 2/20 0.35
PABPC1 P11940 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL31452066 0.89 ALDH1A1 (0.43) KDM4ECA12CA1CA2CA9
SCHEMBL31451991 0.87 CA12 (0.38) NPC1KDM4ECA12CA1CA2
SCHEMBL31451960 0.86 HDAC1 (0.38) KDM4ECA12CA1CA2CA9
SCHEMBL31452053 0.82 CA12 (0.43) CA12CA1CA2CA9MEN1
SCHEMBL31452075 0.81 CA12 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL31451983 0.81 KMT2A (0.45) NPC1CA12CA1CA2CA9
SCHEMBL31452006 0.80 KMT2A (0.37) GRM5NPC1CA12CA1CA2
SCHEMBL31452072 0.80 MEN1 (0.41) CA12CA1CA2CA9MEN1
SCHEMBL31452056 0.80 MEN1 (0.56) CA12CA1CA2CA9MEN1
SCHEMBL31452096 0.80 MEN1 (0.44) CA12CA1CA2CA9MEN1

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-20250066371-A1 FLUOROALKOXYALKYLENE-DIHYDROIMIDAZO[5,1-D]TETRAZINONE COMPOUNDS AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS MODIFI BIOSCIENCES, INC. 2025-02-27 US disclosed
WO-2025034537-A1 FLUOROALKOXYALKYLENE-DIHYDROIMIDAZO[5,1-D]TETRAZINONE COMPOUNDS AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS MODIFI BIOSCIENCES, INC. (US) 2025-02-13 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-20250066371-A1 FLUOROALKOXYALKYLENE-DIHYDROIMIDAZO[5,1-D]TETRAZINONE COMPOUNDS AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS PKD1, APC, VHL GRM5 1051/4885HIF1A 795/4885NPC1 36/4885

“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.