SCHEMBL21062102

SCHEMBL21062102

NC(=O)c1cnc2cc(Br)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
DYRK1A Q13627 1/20 0.38
NNMT P40261 8/20 0.38
APP P05067 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSMD14 O00487 1/20 0.35
STAMBP O95630 1/20 0.35
COPS5 Q92905 1/20 0.35
ILK Q13418 1/20 0.33
PARP1 P09874 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL21061909 0.85 MGAM (0.45) HDAC6SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL21061852 0.80 PIK3CA (0.44) HDAC6SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL21096529 0.71 HPGDS (0.42) HPGDSHDAC6NPC1ALDH1A1RAB9A
SCHEMBL30711905 0.71 HPGDS (0.44) HPGDSDYRK1ANNMTAPPSMN1; SMN2
SCHEMBL2230941 0.71 HPGDS (0.44) HPGDSDYRK1ANNMTAPPSMN1; SMN2
SCHEMBL21061998 0.70 HPGDS (0.55) HPGDSHDAC6KDM4EALDH1A1LMNA
SCHEMBL20783920 0.69 PLAU (0.33) DYRK1ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL5904298 0.69 HTT (0.52) HDAC6NNMTSMN1; SMN2PSMD14STAMBP
SCHEMBL30017067 0.68 DYRK1A (0.60) DYRK1AAPPSMN1; SMN2KDM4ENPC1
SCHEMBL4893675 0.68 CHEK1 (0.40) NNMTKDM4E

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-20210139507-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
EP-3724197-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2020-10-21 EP disclosed
WO-2019116256-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-20 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-20210139507-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H PGDS HPGDS, HPGD, PTGS1 HPGDS 1/4885HDAC6 2109/4885DYRK1A 3231/4885

“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.