SCHEMBL29948103

SCHEMBL29948103

F[B-](F)(F)F.c1cnc2nn[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.40
METAP1 P53582 2/20 0.36
METAP2 P50579 1/20 0.36
AURKA O14965 5/20 0.33
PDE5A O76074 1/20 0.33
PARP1 P09874 1/20 0.33
TP53 P04637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
BACE1 P56817 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
GRM4 Q14833 1/20 0.32
KCNMA1 Q12791 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
SCHEMBL40861 0.94
SCHEMBL29376620 0.94
SCHEMBL28611928 0.92 NUDT1 (0.42) NUDT1METAP1METAP2AURKAPDE5A
SCHEMBL27759739 0.92 NUDT1 (0.42) NUDT1METAP1METAP2AURKAPDE5A
SCHEMBL21990259 0.92 NUDT1 (0.42) NUDT1METAP1METAP2AURKAPDE5A
SCHEMBL8038689 0.92 NUDT1 (0.42) NUDT1METAP1METAP2AURKAPDE5A
Iodide SCHEMBL16585403 0.92 NUDT1 (0.42) NUDT1METAP1METAP2AURKAPDE5A
Hydrochloric Acid SCHEMBL29236109 0.92 NUDT1 (0.42) NUDT1METAP1METAP2AURKAPDE5A
Pyrazine SCHEMBL27939229 0.88 NUDT1 (0.40) NUDT1METAP1METAP2AURKAPDE5A
SCHEMBL937094 0.86 NUDT1 (0.39) NUDT1METAP1METAP2AURKAPDE5A

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
US-20240059725-A1 COUMARIN COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF Majumder, Suman (IN) 2024-02-22 US claimed
WO-2022238741-A1 COUMARIN COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF MAJUMDER SUMAN (IN) 2022-11-17 WO claimed
US-20240059725-A1 COUMARIN COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF Majumder, Suman (IN) 2024-02-22 US disclosed
WO-2022238741-A1 COUMARIN COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF MAJUMDER SUMAN (IN) 2022-11-17 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-20240059725-A1 COUMARIN COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF NQO1, VKORC1, VKORC1L1 NUDT1 662/4885METAP1 2239/4885METAP2 4032/4885

“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.