SCHEMBL5313208

SCHEMBL5313208

CN/C(=N\N)c1cnccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
TSHR P16473 1/20 0.46
MC4R P32245 1/20 0.46
ADRA1A P35348 1/20 0.46
MC3R P41968 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 4/20 0.42
NAPRT Q6XQN6 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HSP90AA1 P07900 1/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5313214 1.00 BAZ2B (0.46) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL9876452 0.75 BAZ2B (0.50) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL5263018 0.74 LMNA (0.50) SMN1; SMN2KDM4ENAPRTGAANPC1
SCHEMBL6449733 0.72 BAZ2B (0.57) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL30586327 0.71 KDM4E (0.59) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL2310303 0.71 KDM4E (0.59) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL18542703 0.71 KDM4E (0.47) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL13292796 0.71 BAZ2B (0.55) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL4468769 0.70 SMN1; SMN2 (0.54) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL4468773 0.70 SMN1; SMN2 (0.54) BAZ2BADORA3TSHRMC4RADRA1A

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
EP-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2006-06-08 US disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 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-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT BAZ2B 2934/4885ADORA3 1698/4885TSHR 4713/4885

“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.