SCHEMBL4020749

SCHEMBL4020749

Nc1ccc(-c2cncs2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.50
CHEK1 O14757 1/20 0.49
CHEK2 O96017 1/20 0.49
DYRK1A Q13627 2/20 0.47
DYRK1B Q9Y463 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAP4K4 O95819 2/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CD38 P28907 2/20 0.42
LTA4H P09960 1/20 0.42
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41

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
SCHEMBL30463604 0.83 CHEK1 (0.45) CHEK1CHEK2DYRK1ADYRK1BMAP4K4
SCHEMBL14320606 0.80 APP (0.50) CHEK1CHEK2DYRK1ADYRK1BKDM4E
SCHEMBL12601808 0.79 PIK3CD (0.47) PIK3CDCHEK1CHEK2DYRK1ADYRK1B
SCHEMBL18927620 0.78 MAPT (0.44) CHEK1CHEK2DYRK1ADYRK1BMAPT
SCHEMBL29740321 0.78 PIK3CD (0.73) PIK3CDDYRK1ADYRK1BKDM4EALDH1A1
SCHEMBL1257460 0.78 PIK3CD (0.73) PIK3CDDYRK1ADYRK1BKDM4EALDH1A1
SCHEMBL13745367 0.77 DYRK1A (0.46) PIK3CDCHEK1CHEK2DYRK1ADYRK1B
SCHEMBL30337416 0.76 PIK3CD (0.70) PIK3CDDYRK1ADYRK1BKDM4EALDH1A1
SCHEMBL31522673 0.74 BACE1 (0.46) CHEK1CHEK2DYRK1ACD38NOS2
SCHEMBL1872880 0.73 DYRK1A (0.55) CHEK1CHEK2DYRK1ADYRK1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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 (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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R PIK3CD 2997/4885CHEK1 4170/4885CHEK2 4369/4885

“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.