SCHEMBL174456

SCHEMBL174456

Cc1cc(Nc2nc(Cl)nc3c2cnn3C(C)(C)C)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 15/20 0.59
PAK4 O96013 4/20 0.59
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PDE2A O00408 1/20 0.42
GAA P10253 1/20 0.41
AURKA O14965 1/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL22054255 0.88 PLK4 (0.67) PLK4PAK4KMT2AMEN1HTT
SCHEMBL25876200 0.82 PLK4 (0.72) PLK4PAK4KMT2AMEN1HTT
SCHEMBL22054995 0.81 PLK4 (0.57) PLK4PAK4KMT2AMEN1HTT
SCHEMBL175150 0.80 PLK4 (0.59) PLK4PAK4AURKANTRK1
SCHEMBL174987 0.80 PLK4 (0.55) PLK4PAK4KMT2AMEN1HTT
SCHEMBL174966 0.78 AURKA (0.53) PLK4PAK4AURKA
SCHEMBL25875763 0.78 PLK4 (0.63) PLK4PAK4KMT2AMEN1HTT
SCHEMBL174285 0.77 PLK4 (0.71) PLK4PAK4NTRK1
SCHEMBL28978673 0.76 PLK4 (0.54) PLK4PAK4KMT2AMEN1HTT
SCHEMBL174267 0.76 PLK4 (0.47) PLK4PAK4AURKANTRK1

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 246/4885PAK4 784/4885KMT2A 610/4885

“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.