SCHEMBL16474223

SCHEMBL16474223

Cc1ccc(-c2nc(O)c3nc[nH]c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.47
ADORA1 P30542 4/20 0.47
ADORA2A P29274 2/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
BRD4 O60885 1/20 0.37
NTSR1 P30989 1/20 0.35
GBA1 P04062 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
MAPT P10636 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32

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
SCHEMBL14104420 0.84 MEN1 (0.40) ADORA3ADORA1ADORA2AMEN1KMT2A
SCHEMBL16146680 0.84 ADORA3 (0.44) ADORA3ADORA1ADORA2AMEN1KMT2A
SCHEMBL31060748 0.83 ADORA3 (0.59) ADORA3ADORA1ADORA2AMEN1KMT2A
SCHEMBL14441705 0.82 RAB9A (0.45) ADORA3ADORA2AMEN1KMT2AMAPT
SCHEMBL16474215 0.81 ADORA3 (0.47) ADORA3ADORA1ADORA2AMEN1KMT2A
SCHEMBL14233654 0.77 ADORA1 (0.49) ADORA3ADORA1
SCHEMBL29366034 0.75 CCR1 (0.42)
SCHEMBL16474222 0.75 TLR9 (0.50) MAPTGAASMN1; SMN2
SCHEMBL11334542 0.74 LMNA (0.33) MEN1KMT2A
SCHEMBL8902845 0.74 CA1 (0.43) NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353115-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2016-05-31 US disclosed
US-20140107115-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-04-17 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-20140107115-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 ADORA3 1152/4885ADORA1 581/4885ADORA2A 863/4885

“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.