SCHEMBL174655

SCHEMBL174655

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3nc([S+](C)[O-])sc23)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 3/20 0.41
PAK4 O96013 3/20 0.41
NTRK1 P04629 7/20 0.39
DHODH Q02127 1/20 0.39
AURKA O14965 3/20 0.38
AURKB Q96GD4 2/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
JAK2 O60674 5/20 0.36
JAK3 P52333 5/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C8 P10632 3/20 0.36
CYP2C9 P11712 3/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
CYP2C19 P33261 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
CYP1A2 P05177 1/20 0.36
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35

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
SCHEMBL174270 0.85 PLK4 (0.43) PLK4PAK4NTRK1DHODHAURKA
SCHEMBL175167 0.83 PLK4 (0.42) PLK4PAK4NTRK1DHODHAURKA
SCHEMBL164635 0.83 JAK2 (0.44) PLK4PAK4NTRK1DHODHAURKA
SCHEMBL175117 0.83 PLK4 (0.42) PLK4PAK4NTRK1DHODHAURKA
SCHEMBL173409 0.80 PLK4 (0.40) PLK4PAK4NTRK1DHODHAURKA
SCHEMBL175961 0.80 PLK4 (0.40) PLK4PAK4NTRK1DHODHAURKA
SCHEMBL173555 0.80 PLK4 (0.44) PLK4PAK4NTRK1DHODHAURKA
SCHEMBL174064 0.79 AURKA (0.47) PLK4PAK4NTRK1AURKAAURKB
SCHEMBL174193 0.78 NTRK1 (0.43) PLK4PAK4NTRK1AURKAAURKB
SCHEMBL166273 0.77 PAK1 (0.51) PLK4PAK4NTRK1DHODHAURKA

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 784/4885NTRK1 1619/4885

“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.