SCHEMBL5030624

SCHEMBL5030624

C1=N[N]C=C1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAPT P10636 4/20 0.34
HTT P42858 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 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
SCHEMBL28039623 0.64 ADRA2A (0.37) GAAKDM4ELMNAPOLBADRA2A
SCHEMBL9093746 0.61 LMNA (0.71) KDM4ELMNAPOLBMAPTHTT
SCHEMBL29293394 0.61 POLB (0.33) GAAKDM4ELMNAPOLBADRA2A
SCHEMBL28640180 0.59 LMNA (0.61) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL28646855 0.59 MAPT (0.52) GAAKDM4ELMNAMAPTHTT
SCHEMBL8973821 0.59 HTT (0.63) GAAKDM4ELMNAPOLBHTT
SCHEMBL28148489 0.59 LMNA (0.91) GAAKDM4ELMNAPOLBMAPT
SCHEMBL5754979 0.59 ALDH1A1 (0.61) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL9158583 0.58 PIK3CD (0.54) GAAKDM4EMAPTHTTALDH1A1
SCHEMBL16501134 0.58 LMNA (0.38) GAAKDM4ELMNAPOLBADRA2A

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-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US claimed

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-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 GAA 3058/4885KDM4E 3857/4885LMNA 4134/4885

“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.