SCHEMBL256548

SCHEMBL256548

C[S+]([O-])c1nc(O)c2cc[nH]c2n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
AXL P30530 1/20 0.30
PRKCI P41743 1/20 0.30

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
SCHEMBL15380664 1.00 DYRK1A (0.33) DYRK1AADORA2AADORA1IKBKBCHUK
SCHEMBL3126517 0.73 ADORA2A (0.42) DYRK1AADORA2AADORA1AXLPRKCI
7-Deazaxanthine SCHEMBL1014230 0.72 DYRK1A (0.40) DYRK1AADORA2AADORA1IKBKBCHUK
SCHEMBL31514673 0.69 PRKCI (0.41) DYRK1AADORA2AADORA1AXLPRKCI
SCHEMBL371415 0.69 HRH4 (0.49) DYRK1AADORA2AADORA1IKBKBCHUK
SCHEMBL5880789 0.69 DYRK1A (0.38) DYRK1AADORA2AADORA1IKBKBCHUK
SCHEMBL161735 0.69 ADORA2A (0.39) DYRK1AADORA2AADORA1AXLPRKCI
SCHEMBL18701495 0.69 DYRK1A (0.35) DYRK1AADORA2AADORA1AXLPRKCI
SCHEMBL30974906 0.69 DYRK1A (0.35) DYRK1AADORA2AADORA1AXLPRKCI
SCHEMBL14320252 0.67 IKBKB (0.46) DYRK1AADORA2AADORA1IKBKBCHUK

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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 DYRK1A 304/4885ADORA2A 1933/4885ADORA1 3035/4885

“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.