SCHEMBL6072074

SCHEMBL6072074

NNc1ncnc2c1cnn2-c1nccs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.60
ALDH1A1 P00352 8/20 0.57
LMNA P02545 8/20 0.57
KDM4E B2RXH2 6/20 0.57
HTT P42858 5/20 0.57
GAA P10253 3/20 0.57
MAPT P10636 3/20 0.57
XDH P47989 1/20 0.49
CYP17A1 P05093 1/20 0.45
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 9/20 0.41
HSD17B10 Q99714 9/20 0.41
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
HPGD P15428 7/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TP53 P04637 5/20 0.39
TSHR P16473 3/20 0.39
MAPK10 P53779 2/20 0.38

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
SCHEMBL3879803 0.81 CYP1A2 (0.54) GSK3BALDH1A1LMNAKDM4EHTT
SCHEMBL6071455 0.78 GSK3B (0.51) GSK3BALDH1A1LMNAKDM4EHTT
SCHEMBL6071763 0.78 GSK3B (0.51) GSK3BALDH1A1LMNAKDM4EHTT
SCHEMBL6071221 0.76 GSK3B (0.47) GSK3BALDH1A1LMNAKDM4EHTT
SCHEMBL6071213 0.74 KDM4E (0.76) GSK3BALDH1A1LMNAKDM4EHTT
SCHEMBL6364028 0.72 KDM4E (1.00) ALDH1A1LMNAKDM4EHTTGAA
SCHEMBL6071614 0.72 ALDH1A1 (0.68) GSK3BALDH1A1LMNAKDM4EHTT
Hydrochloric Acid SCHEMBL6363785 0.71 KDM4E (0.97) ALDH1A1LMNAKDM4EHTTGAA
SCHEMBL6071449 0.71 KDM4E (0.75) GSK3BALDH1A1LMNAKDM4EHTT
SCHEMBL8344591 0.70 LMNA (0.74) ALDH1A1LMNAKDM4EHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167020-A1 Pyrazolopyrimidines as kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2006-07-27 US disclosed
EP-1523314-A2 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-04-20 EP disclosed
WO-2004009597-A2 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
WO-2004009597-A2 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 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-20060167020-A1 Pyrazolopyrimidines as kinase inhibitors MAP3K12, MAP3K5, MAP3K2 GSK3B 591/4885ALDH1A1 2729/4885LMNA 4633/4885

“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.