SCHEMBL7684288

SCHEMBL7684288

CCCCn1cnc2nc[nH]c2c1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
ADORA2A P29274 8/20 0.49
PDE4A P27815 7/20 0.49
PDE4B Q07343 7/20 0.49
PDE4C Q08493 7/20 0.49
PDE4D Q08499 7/20 0.49
ADORA2B P29275 5/20 0.49
ADORA3 P0DMS8 1/20 0.49
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PAK1 Q13153 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
SCHEMBL11270394 0.94 ADORA2B (0.53) ALDH1A1KDM4EHPGDADORA2APDE4A
SCHEMBL1866522 0.91 PDE4A (0.49) ALDH1A1HPGDADORA2APDE4APDE4B
SCHEMBL26248657 0.84 ALDH1A1 (0.47) ALDH1A1ADORA2APDE4APDE4BPDE4C
SCHEMBL6673901 0.76 ADORA2A (0.52) ALDH1A1HPGDADORA2APDE4APDE4B
SCHEMBL26248690 0.76 ADORA2A (0.54) ALDH1A1KDM4EHPGDADORA2APDE4A
SCHEMBL2115743 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EADORA2APDE4APDE4B
SCHEMBL5616439 0.74 ADORA2B (0.49) ALDH1A1KDM4EHPGDADORA2APDE4A
SCHEMBL7684917 0.73 ALDH1A1 (0.42) ALDH1A1ADORA2BADORA3
SCHEMBL6272735 0.72 PDE4A (0.59) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL10528220 0.72 ADORA2B (0.43) ADORA2APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 834/4885KDM4E 2916/4885HPGD 486/4885

“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.