SCHEMBL13750511

SCHEMBL13750511

Cc1ncc(-c2ccnnc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 9/20 0.38
PIK3CA P42336 1/20 0.34
S1PR1 P21453 2/20 0.33
CYP11B2 P19099 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
ABL1 P00519 1/20 0.32
S1PR3 Q99500 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL26818530 0.80 HPGDS (0.48) WNT3APIK3CAABL1
SCHEMBL20743619 0.80 LOXL2 (0.43) WNT3AS1PR1CYP11B2LOXL2ABL1
SCHEMBL10021910 0.77 NPC1 (0.35)
SCHEMBL13728802 0.77 PSEN1 (0.34) WNT3AS1PR1ABL1S1PR3
SCHEMBL16352387 0.76 MAPT (0.55) PIK3CA
SCHEMBL12786339 0.75 NPC1 (0.44)
SCHEMBL26818388 0.74 WNT3A (0.39) WNT3AS1PR1
SCHEMBL27545288 0.73 NPC1 (0.38) WNT3AS1PR1CYP11B2LOXL2ABL1
SCHEMBL15261780 0.72 WNT3A (0.38) WNT3AS1PR1CYP11B2ABL1S1PR3
SCHEMBL20873067 0.71 CYP2A6 (0.56) WNT3AS1PR1LOXL2HCAR2

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 1 patent. 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

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 WNT3A 1974/4885PIK3CA 3044/4885S1PR1 242/4885

“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.