SCHEMBL173559

SCHEMBL173559

Cc1cc(Nc2nc(Cl)nc(Cl)c2C=O)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 3/20 0.55
PLK4 O00444 2/20 0.55
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AURKA O14965 14/20 0.42
AURKB Q96GD4 8/20 0.42
GSK3B P49841 7/20 0.39
GSK3A P49840 2/20 0.39
IGF1R P08069 2/20 0.39
FGFR1 P11362 2/20 0.39
KDR P35968 2/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL175048 0.85 CA1 (0.52) PAK4PLK4MEN1HTTKMT2A
SCHEMBL219046 0.82 PAK4 (0.59) PAK4PLK4MEN1HTTKMT2A
SCHEMBL588674 0.81 PAK4 (0.62) PAK4PLK4MEN1HTTKMT2A
SCHEMBL22600946 0.79 PAK4 (0.59) PAK4PLK4MEN1HTTKMT2A
SCHEMBL24174504 0.77 PAK4 (0.54) PAK4PLK4MEN1HTTKMT2A
SCHEMBL220647 0.72 PAK4 (0.57) PAK4PLK4MEN1HTTKMT2A
SCHEMBL218203 0.72 PAK4 (0.51) PAK4PLK4MEN1HTTKMT2A
SCHEMBL218565 0.71 PAK4 (0.60) PAK4PLK4MEN1HTTKMT2A
SCHEMBL218642 0.71 MEN1 (0.62) PAK4PLK4MEN1HTTKMT2A
SCHEMBL3939475 0.71 PAK4 (0.56) PAK4PLK4MEN1HTTKMT2A

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 PAK4 784/4885PLK4 246/4885MEN1 2341/4885

“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.