SCHEMBL4920899

SCHEMBL4920899

Nc1cccc(Nc2nc(NC3CCCC3)c3nc[nH]c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.53
ADORA2A P29274 6/20 0.53
ADORA1 P30542 6/20 0.53
MERTK Q12866 1/20 0.47
PAK4 O96013 3/20 0.45
TOP2A P11388 1/20 0.45
IGF1R P08069 1/20 0.45
SYK P43405 3/20 0.44
MEN1 O00255 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
BLM P54132 1/20 0.44
CDK5 Q00535 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CDK5R1 Q15078 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL21601504 0.86 ADORA3 (0.69) ADORA3ADORA2AADORA1MERTKPAK4
SCHEMBL21601563 0.86 ADORA3 (0.69) ADORA3ADORA2AADORA1MERTKPAK4
SCHEMBL21601510 0.86 ADORA3 (0.69) ADORA3ADORA2AADORA1MERTKPAK4
SCHEMBL31061104 0.86 ADORA3 (0.69) ADORA3ADORA2AADORA1MERTKPAK4
SCHEMBL4920877 0.86 NEK2 (0.53) ADORA3ADORA2AADORA1IGF1RSYK
SCHEMBL7104515 0.85 ADORA3 (0.64) ADORA3ADORA2AADORA1MERTKPAK4
SCHEMBL4909020 0.83 ADORA3 (0.48) ADORA3ADORA2AADORA1TOP2APIK3CD
SCHEMBL4916898 0.81 ADORA3 (0.45) ADORA3ADORA2AADORA1SYKPIK3CD
SCHEMBL4919823 0.81 ADORA3 (0.46) ADORA3ADORA2AADORA1PAK4TOP2A
SCHEMBL14110217 0.79 PIK3CD (0.67) ADORA3ADORA2AADORA1MERTKTOP2A

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-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors NOVARTIS AG (CH) 2008-10-23 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-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors GRK4, JAK2, ALK ADORA3 662/4885ADORA2A 1471/4885ADORA1 1305/4885

“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.