SCHEMBL7688477

SCHEMBL7688477

O=c1[nH]c(-c2ccccc2)nc2nc[nH]c12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.75
GRIA2 P42262 1/20 0.75
GRIA3 P42263 1/20 0.75
GRIA4 P48058 1/20 0.75
PDE5A O76074 1/20 0.55
FGFR1 P11362 1/20 0.55
FGFR2 P21802 1/20 0.55
PNP P00491 1/20 0.54
XDH P47989 2/20 0.52
ADORA3 P0DMS8 2/20 0.50
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
ADORA2B P29275 1/20 0.50
TNKS O95271 1/20 0.50
PARP1 P09874 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49

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
SCHEMBL3757546 0.87 FGFR1 (0.59) GRIA1GRIA2GRIA3GRIA4FGFR1
SCHEMBL14716577 0.82 FGFR1 (0.56) GRIA1GRIA2GRIA3GRIA4FGFR1
Biphenyl SCHEMBL27410122 0.81 PNP (0.79) GRIA1GRIA2GRIA3GRIA4FGFR1
SCHEMBL6783434 0.76 GRIA1 (0.59) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL7688479 0.74 ADORA2B (0.46) GRIA1GRIA2GRIA3GRIA4FGFR1
Xanthine SCHEMBL29180270 0.74 PNP (0.62) GRIA1GRIA2GRIA3GRIA4PNP
SCHEMBL5084818 0.74 PNP (0.58) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL5998047 0.74 XDH (0.52) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL1286929 0.74 PNP (0.50) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL1286951 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 CN claimed
CN-108703970-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2018-10-26 CN disclosed
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 CN disclosed
CN-1410059-A Treating method and medicine kit containing somatotrophic hormone secretory agent PFIZER PRODUCT CO (US) 2003-04-16 CN disclosed
WO-2002085904-A1 SNYTHESIS AND METHODS OF USE OF PURINE ANALOGUES AND DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2002-10-31 WO disclosed
US-20020156277-A1 Synthesis and methods of use of purine analogues and derivatives NEO THERAPEUTICS, INC. 2002-10-24 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-20020156277-A1 Synthesis and methods of use of purine analogues and derivatives SLC29A1, ATIC, PNP GRIA1 900/4885GRIA2 1688/4885GRIA3 1433/4885

“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.