SCHEMBL5033566

SCHEMBL5033566

COc1nc(N)c2nc[nH]c2n1.Cl[Hg]

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
RAD52 P43351 1/20 0.33
RIN1 Q13671 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
BRAF P15056 1/20 0.31
PDPK1 O15530 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL453219 0.97 ABL1 (0.34) ABL1RAD52RIN1ADORA2AADORA2B
SCHEMBL19539317 0.80 ADORA2A (0.36) ADORA2AADORA2BMEN1KMT2A
SCHEMBL2058723 0.80 TLR7 (0.46)
SCHEMBL20756902 0.78 CDK1 (0.42) ADORA2AADORA2B
SCHEMBL1146060 0.76 CDK1 (0.43) ADORA2AADORA2B
SCHEMBL13828436 0.75 XDH (0.36) ABL1RAD52RIN1PDPK1
SCHEMBL6897931 0.74 CDK1 (0.46) ADORA2AADORA2B
SCHEMBL19778471 0.73 LRRK2 (0.34) ABL1RAD52RIN1PDPK1
SCHEMBL4160288 0.73 ADORA2A (0.41) ADORA2AADORA2BMEN1ALDH1A1KMT2A
SCHEMBL30438320 0.73 TUBB4A (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262214-A1 Synthesis of 2-Substituted Adenosines CAMBRIDGE BIOTECHNOLOGY LIMITED (GB) 2008-10-23 US disclosed
EP-1697393-A1 IMPROVED SYNTHESIS OF 2-SUBSTITUTED ADENOSINES BIOVITRUM AB (SE) 2006-09-06 EP disclosed
WO-2005054269-A1 IMPROVED SYNTHESIS OF 2-SUBSTITUTED ADENOSINES BIOVITRUM AB (SE) 2005-06-16 WO 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-20080262214-A1 Synthesis of 2-Substituted Adenosines ADORA3, ADORA1, ADORA2A ABL1 1012/4885RAD52 3332/4885RIN1 2928/4885

“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.