SCHEMBL173586

SCHEMBL173586

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3c2cnn3CCCl)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 14/20 0.54
PAK4 O96013 4/20 0.49
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
NTRK1 P04629 5/20 0.43
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42

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
SCHEMBL15383198 0.91 PLK4 (0.54) PLK4PAK4AURKAAURKBNTRK1
SCHEMBL174820 0.89 PLK4 (0.54) PLK4PAK4AURKAAURKBNTRK1
SCHEMBL173716 0.88 PLK4 (0.58) PLK4PAK4AURKAAURKBNTRK1
SCHEMBL173328 0.87 PLK4 (0.47) PLK4PAK4NTRK1
SCHEMBL175326 0.83 PLK4 (0.49) PLK4PAK4AURKAAURKBNTRK1
SCHEMBL174442 0.78 PLK4 (0.66) PLK4PAK4
SCHEMBL175070 0.76 AURKA (0.63) PLK4PAK4AURKAAURKBNTRK1
SCHEMBL174494 0.76 PLK4 (0.46) PLK4PAK4AURKAAURKBNTRK1
SCHEMBL174860 0.76 PLK4 (0.56) PLK4PAK4AURKBNTRK1
SCHEMBL168759 0.76 NTRK1 (0.66) AURKAAURKBNTRK1NTRK3NTRK2

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 784/4885AURKA 174/4885

“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.