SCHEMBL174987

SCHEMBL174987

Cc1cc(Nc2nc(Cl)nc3c2cnn3CCO)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 18/20 0.55
PAK4 O96013 6/20 0.55
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NTRK1 P04629 2/20 0.42
GAA P10253 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
SCHEMBL25876200 0.85 PLK4 (0.72) PLK4PAK4MEN1HTTKMT2A
SCHEMBL22054255 0.84 PLK4 (0.67) PLK4PAK4MEN1HTTKMT2A
SCHEMBL174354 0.84 PLK4 (0.50) PLK4PAK4NTRK1
SCHEMBL174456 0.80 PLK4 (0.59) PLK4PAK4MEN1HTTKMT2A
SCHEMBL28978673 0.79 PLK4 (0.54) PLK4PAK4MEN1HTTKMT2A
SCHEMBL174409 0.78 PLK4 (0.48) PLK4PAK4NTRK1
SCHEMBL22054995 0.78 PLK4 (0.57) PLK4PAK4MEN1HTTKMT2A
SCHEMBL175150 0.76 PLK4 (0.59) PLK4PAK4NTRK1
SCHEMBL24174549 0.75 PLK4 (0.58) PLK4PAK4MEN1HTTKMT2A
SCHEMBL174285 0.74 PLK4 (0.71) PLK4PAK4NTRK1

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 784/4885MEN1 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.