SCHEMBL174770

SCHEMBL174770

CCn1ncc2c(Nc3cc(C)[nH]n3)nc(SC)nc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 6/20 0.48
SRC P12931 14/20 0.46
ABL1 P00519 8/20 0.46
PAK4 O96013 1/20 0.46
HCK P08631 1/20 0.45
PIM1 P11309 1/20 0.45
AURKA O14965 1/20 0.43
GSK3B P49841 1/20 0.43
AURKB Q96GD4 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
SCHEMBL174749 0.85 AURKA (0.53) PLK4SRCPAK4AURKAGSK3B
SCHEMBL15383198 0.76 PLK4 (0.54) PLK4PAK4AURKAAURKB
SCHEMBL174241 0.75 PLK4 (0.48) PLK4PAK4AURKAAURKB
SCHEMBL25881842 0.75 PLK4 (0.43) PLK4PAK4
SCHEMBL25883324 0.73 PLK4 (0.41) PLK4PAK4
SCHEMBL174987 0.72 PLK4 (0.55) PLK4PAK4
SCHEMBL25876200 0.71 PLK4 (0.72) PLK4PAK4AURKAGSK3BAURKB
SCHEMBL30353136 0.71 JAK2 (0.51) PLK4SRCPAK4AURKAGSK3B
SCHEMBL25875763 0.70 PLK4 (0.63) PLK4SRCPAK4AURKAGSK3B
SCHEMBL25875939 0.70 RET (0.44) PLK4PAK4

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 PLK4 246/4885SRC 98/4885ABL1 5/4885

“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.