SCHEMBL23922872

SCHEMBL23922872

CCOC(=O)c1c(Br)ccnc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HTT P42858 1/20 0.44
NUDT1 P36639 1/20 0.43
MAPT P10636 7/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
ALOX15 P16050 3/20 0.40
PKM P14618 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL22092173 0.92 MAPT (0.42) CA12CA1CA2CA7CA9
SCHEMBL27185753 0.85 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL2578343 0.84 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL14351781 0.84 HTT (0.50) CA12CA1CA2CA7CA9
SCHEMBL31214404 0.84 HTT (0.50) CA12CA1CA2CA7CA9
SCHEMBL14661117 0.81 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL23923034 0.81 MAPT (0.47) CA12CA1CA2CA7CA9
SCHEMBL17091353 0.81 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL28737686 0.80 MAPT (0.40) CA12CA1CA2CA7CA9
SCHEMBL14352029 0.80 NUDT1 (0.46) CA12CA1CA2CA7CA9

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-12091410-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-17 US disclosed
EP-3896060-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-08-16 EP disclosed
US-20220017514-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-20 US disclosed
EP-3896060-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-10-20 EP 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-12091410-B2 Heterocyclic compound HCRTR2, HCRTR1, NTSR2 CA12 2119/4885CA1 1114/4885CA2 600/4885
US-20220017514-A1 HETEROCYCLIC COMPOUND HCRTR2, HCRTR1, NTSR2 CA12 2119/4885CA1 1114/4885CA2 600/4885

“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.