SCHEMBL13730992

SCHEMBL13730992

CC(C)c1ccc2nc(-c3ccccc3)cn2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
TP53 P04637 8/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
MAPT P10636 4/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ALDH1A3 P47895 3/20 0.45
ALDH1A2 O94788 1/20 0.45
ALOX15 P16050 2/20 0.44
SLC2A1 P11166 1/20 0.44

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
SCHEMBL13731002 0.83 F2RL3 (0.48) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL13729698 0.82 KDM4E (0.41) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL13731007 0.81 CSNK1D (0.35) RAB9ANPC1TP53MAPTALDH1A3
SCHEMBL13730155 0.80 F2RL3 (0.46) RAB9ANPC1TP53MAPTPDE10A
SCHEMBL13750723 0.79 RAB9A (0.54) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL798826 0.78 DYRK1A (0.34) DYRK1A
SCHEMBL10532301 0.77 NPC1 (0.55) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL3108835 0.76 NPC1 (0.54) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL14076027 0.76 NPC1 (0.54) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL13744906 0.75 NPC1 (0.53) RAB9ANPC1TP53SMN1; SMN2ALDH1A1

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 RAB9A 3311/4885NPC1 730/4885TP53 4792/4885

“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.