SCHEMBL173973

SCHEMBL173973

Cc1cc(Nc2nc(Sc3ccc(F)cc3)nc3[nH]ccc23)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 0.59
GSK3B P49841 13/20 0.59
AURKB Q96GD4 13/20 0.59
SRC P12931 8/20 0.59
AURKC Q9UQB9 1/20 0.52
PLK4 O00444 1/20 0.45
PAK4 O96013 1/20 0.45
NTRK1 P04629 1/20 0.45

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
SCHEMBL174966 0.77 AURKA (0.53) AURKAGSK3BAURKBSRCAURKC
SCHEMBL174749 0.77 AURKA (0.53) AURKAGSK3BAURKBSRCAURKC
SCHEMBL255946 0.76 AURKA (0.45) AURKAGSK3BAURKBSRCPLK4
SCHEMBL15377751 0.76 AURKA (0.45) AURKAGSK3BAURKBSRCPLK4
SCHEMBL174436 0.76 AURKA (0.45) AURKAGSK3BAURKBSRCPLK4
SCHEMBL23889437 0.76 PLK4 (0.66) AURKAGSK3BAURKBSRCPLK4
SCHEMBL175002 0.76 GSK3B (0.48) AURKAGSK3BSRCNTRK1
SCHEMBL176263 0.74 AURKA (0.45) AURKAGSK3BAURKBSRCPLK4
SCHEMBL12430446 0.74 AURKA (1.00) AURKAGSK3BAURKBSRCAURKC
SCHEMBL12510494 0.74 AURKA (0.89) AURKAGSK3BAURKBSRCAURKC

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 3 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
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP 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 AURKA 174/4885GSK3B 353/4885AURKB 172/4885

“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.