SCHEMBL13612893

SCHEMBL13612893

CCc1nc2c(cnn2CC)c(Cl)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
NR3C1 P04150 6/20 0.39
PDE10A Q9Y233 1/20 0.39
XDH P47989 1/20 0.37
PDE4B Q07343 2/20 0.37
PGR P06401 1/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35
TRAP1 Q12931 1/20 0.35
MEN1 O00255 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL13612889 0.81 MAPT (0.38) ADORA3ADORA2AADORA1XDHPDE4B
SCHEMBL14045425 0.80 PDE10A (0.38) ADORA3ADORA2AADORA1NR3C1PDE10A
SCHEMBL2244454 0.79 NR3C1 (0.41) ADORA3ADORA2AADORA1NR3C1PDE10A
SCHEMBL1363026 0.78 KMT2A (0.52) PDE4BMAPTTSHRNPSR1KMT2A
SCHEMBL14022268 0.78 PDE10A (0.43) PDE10AXDHPDE4BMAPTTSHR
SCHEMBL12362837 0.75 MAPT (0.36) ADORA3ADORA2AADORA1XDHPDE4B
SCHEMBL29786728 0.72 MAPT (0.49) ADORA3ADORA2AADORA1NR3C1PDE10A
SCHEMBL13870221 0.72 NR3C1 (0.51) NR3C1PDE10AXDHPDE4BPGR
SCHEMBL20250861 0.72 ALDH1A1 (0.42) ADORA3ADORA2AADORA1NR3C1PDE10A
SCHEMBL25875949 0.72 ADORA3 (0.42) ADORA3ADORA2AADORA1NR3C1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-31 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-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4B, PDE4A, PDE12 ADORA3 530/4885ADORA2A 1128/4885ADORA1 492/4885

“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.